Organoheterocyclic compounds
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2,6-Di(tert-butyl)pyridine, 97%, Thermo Scientific™, Thermo Scientific™
CAS: 585-48-8 Molecular Formula: C13H21N Molecular Weight (g/mol): 191.318 MDL Number: MFCD00006306 InChI Key: UWKQJZCTQGMHKD-UHFFFAOYSA-N Synonym: 2,6-di-tert-butylpyridine,2,6-di tert-butyl pyridine,2,6-di-t-butylpyridine,unii-oi9lf0h4mm,2,6-di-t-butyl pyridine,pyridine, 2,6-bis 1,1-dimethylethyl,oi9lf0h4mm,2,6-di-tert-butyl pyridine,pyridine, 2,6-di-tert-butyl,pubchem16119 PubChem CID: 68510 IUPAC Name: 2,6-ditert-butylpyridine SMILES: CC(C)(C)C1=NC(=CC=C1)C(C)(C)C
| PubChem CID | 68510 |
|---|---|
| CAS | 585-48-8 |
| Molecular Weight (g/mol) | 191.318 |
| MDL Number | MFCD00006306 |
| SMILES | CC(C)(C)C1=NC(=CC=C1)C(C)(C)C |
| Synonym | 2,6-di-tert-butylpyridine,2,6-di tert-butyl pyridine,2,6-di-t-butylpyridine,unii-oi9lf0h4mm,2,6-di-t-butyl pyridine,pyridine, 2,6-bis 1,1-dimethylethyl,oi9lf0h4mm,2,6-di-tert-butyl pyridine,pyridine, 2,6-di-tert-butyl,pubchem16119 |
| IUPAC Name | 2,6-ditert-butylpyridine |
| InChI Key | UWKQJZCTQGMHKD-UHFFFAOYSA-N |
| Molecular Formula | C13H21N |
6-chloropyridazin-3-amine, Thermo Scientific™, 97%, Thermo Scientific™
CAS: 5469-69-2 Molecular Formula: C4H4ClN3 Molecular Weight (g/mol): 129.55 MDL Number: MFCD00051506 InChI Key: DTXVKPOKPFWSFF-UHFFFAOYSA-N Synonym: 3-amino-6-chloropyridazine,3-pyridazinamine, 6-chloro,6-chloro-3-pyridazinamine,6-amino-3-chloropyridazine,6-chloro-3-aminopyridazine,6-chloropyridazin-3-ylamine,6-chloro-pyridazin-3-ylamine,unii-ijs443slzg,3-chloro-6-pyridazinamine,6-chloro-3-pyridazinylamine PubChem CID: 21643 IUPAC Name: 6-chloropyridazin-3-amine SMILES: NC1=CC=C(Cl)N=N1
| PubChem CID | 21643 |
|---|---|
| CAS | 5469-69-2 |
| Molecular Weight (g/mol) | 129.55 |
| MDL Number | MFCD00051506 |
| SMILES | NC1=CC=C(Cl)N=N1 |
| Synonym | 3-amino-6-chloropyridazine,3-pyridazinamine, 6-chloro,6-chloro-3-pyridazinamine,6-amino-3-chloropyridazine,6-chloro-3-aminopyridazine,6-chloropyridazin-3-ylamine,6-chloro-pyridazin-3-ylamine,unii-ijs443slzg,3-chloro-6-pyridazinamine,6-chloro-3-pyridazinylamine |
| IUPAC Name | 6-chloropyridazin-3-amine |
| InChI Key | DTXVKPOKPFWSFF-UHFFFAOYSA-N |
| Molecular Formula | C4H4ClN3 |
Xanthane hydride, Thermo Scientific Chemicals
CAS: 6846-35-1 Molecular Formula: C2H2N2S3 Molecular Weight (g/mol): 150.23 InChI Key: YWZHEXZIISFIDA-UHFFFAOYSA-N IUPAC Name: 5-amino-3H-1,2,4-dithiazole-3-thione SMILES: NC1=NC(=S)SS1
| CAS | 6846-35-1 |
|---|---|
| Molecular Weight (g/mol) | 150.23 |
| SMILES | NC1=NC(=S)SS1 |
| IUPAC Name | 5-amino-3H-1,2,4-dithiazole-3-thione |
| InChI Key | YWZHEXZIISFIDA-UHFFFAOYSA-N |
| Molecular Formula | C2H2N2S3 |
(1-Benzyl-4-piperidyl)methanol, Thermo Scientific™, Thermo Scientific™
CAS: 67686-01-5 Molecular Formula: C13H19NO Molecular Weight (g/mol): 205.301 MDL Number: MFCD00831014 InChI Key: FLQPYEOKVZYXRL-UHFFFAOYSA-N Synonym: 1-benzyl-4-piperidyl methanol,1-benzylpiperidin-4-yl methanol,1-benzyl-4-piperidinemethanol,1-benzyl-4-piperidinyl methanol,1-benzyl-4-hydroxymethylpiperidine,4-piperidinemethanol, 1-phenylmethyl,1-benzy-4-hydroxymethylpiperidine,1-benzy-4-hydroxymethyl piperidine,pubchem8894,1-benzyl-4-piperdinemethanol PubChem CID: 736802 IUPAC Name: (1-benzylpiperidin-4-yl)methanol SMILES: C1CN(CCC1CO)CC2=CC=CC=C2
| PubChem CID | 736802 |
|---|---|
| CAS | 67686-01-5 |
| Molecular Weight (g/mol) | 205.301 |
| MDL Number | MFCD00831014 |
| SMILES | C1CN(CCC1CO)CC2=CC=CC=C2 |
| Synonym | 1-benzyl-4-piperidyl methanol,1-benzylpiperidin-4-yl methanol,1-benzyl-4-piperidinemethanol,1-benzyl-4-piperidinyl methanol,1-benzyl-4-hydroxymethylpiperidine,4-piperidinemethanol, 1-phenylmethyl,1-benzy-4-hydroxymethylpiperidine,1-benzy-4-hydroxymethyl piperidine,pubchem8894,1-benzyl-4-piperdinemethanol |
| IUPAC Name | (1-benzylpiperidin-4-yl)methanol |
| InChI Key | FLQPYEOKVZYXRL-UHFFFAOYSA-N |
| Molecular Formula | C13H19NO |
Theophylline, Thermo Scientific Chemicals
CAS: 58-55-9 Molecular Formula: C7H8N4O2 Molecular Weight (g/mol): 180.167 MDL Number: MFCD00079619 InChI Key: ZFXYFBGIUFBOJW-UHFFFAOYSA-N Synonym: theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur PubChem CID: 2153 ChEBI: CHEBI:28177 IUPAC Name: 1,3-dimethyl-7H-purine-2,6-dione SMILES: CN1C2=C(C(=O)N(C1=O)C)NC=N2
| PubChem CID | 2153 |
|---|---|
| CAS | 58-55-9 |
| Molecular Weight (g/mol) | 180.167 |
| ChEBI | CHEBI:28177 |
| MDL Number | MFCD00079619 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC=N2 |
| Synonym | theophylline,1,3-dimethylxanthine,elixophyllin,theophyllin,theolair,nuelin,theophylline anhydrous,respbid,theocin,theo-dur |
| IUPAC Name | 1,3-dimethyl-7H-purine-2,6-dione |
| InChI Key | ZFXYFBGIUFBOJW-UHFFFAOYSA-N |
| Molecular Formula | C7H8N4O2 |
Purine, 97+%, Thermo Scientific Chemicals
CAS: 120-73-0 Molecular Formula: C5H4N4 Molecular Weight (g/mol): 120.115 MDL Number: MFCD00079221 InChI Key: KDCGOANMDULRCW-UHFFFAOYSA-N Synonym: purine,9h-purine,1h-purine,isopurine,beta-purine,7h-imidazo 4,5-d pyrimidine,imidazo 4,5-d pyrimidine,3,5,7-triazaindole,9h-purine van,3h-purine PubChem CID: 1044 ChEBI: CHEBI:17258 IUPAC Name: 7H-purine SMILES: C1=C2C(=NC=N1)N=CN2
| PubChem CID | 1044 |
|---|---|
| CAS | 120-73-0 |
| Molecular Weight (g/mol) | 120.115 |
| ChEBI | CHEBI:17258 |
| MDL Number | MFCD00079221 |
| SMILES | C1=C2C(=NC=N1)N=CN2 |
| Synonym | purine,9h-purine,1h-purine,isopurine,beta-purine,7h-imidazo 4,5-d pyrimidine,imidazo 4,5-d pyrimidine,3,5,7-triazaindole,9h-purine van,3h-purine |
| IUPAC Name | 7H-purine |
| InChI Key | KDCGOANMDULRCW-UHFFFAOYSA-N |
| Molecular Formula | C5H4N4 |
6-Phenylnicotinonitrile, 97%, Thermo Scientific™
CAS: 39065-54-8 Molecular Formula: C12H8N2 Molecular Weight (g/mol): 180.21 MDL Number: MFCD06637420 InChI Key: OSRYUVXCTNUGRM-UHFFFAOYSA-N PubChem CID: 12576518 IUPAC Name: 6-phenylpyridine-3-carbonitrile SMILES: C1=CC=C(C=C1)C2=NC=C(C=C2)C#N
| PubChem CID | 12576518 |
|---|---|
| CAS | 39065-54-8 |
| Molecular Weight (g/mol) | 180.21 |
| MDL Number | MFCD06637420 |
| SMILES | C1=CC=C(C=C1)C2=NC=C(C=C2)C#N |
| IUPAC Name | 6-phenylpyridine-3-carbonitrile |
| InChI Key | OSRYUVXCTNUGRM-UHFFFAOYSA-N |
| Molecular Formula | C12H8N2 |
6-Quinoxalinamine, 97%, Thermo Scientific™
CAS: 6298-37-9 Molecular Formula: C8H7N3 Molecular Weight (g/mol): 145.17 MDL Number: MFCD00462821 InChI Key: MSGRFBKVMUKEGZ-UHFFFAOYSA-N Synonym: 6-aminoquinoxaline,6-quinoxalinamine,6-quinoxalinylamine,quinoxalin-6-ylamine,quinoxaline-6-ylamine,6-chinoxalinamin,6-amino-quinoxaline,pubchem15453,quinoxalin, 6-amino PubChem CID: 237859 IUPAC Name: quinoxalin-6-amine SMILES: NC1=CC=C2N=CC=NC2=C1
| PubChem CID | 237859 |
|---|---|
| CAS | 6298-37-9 |
| Molecular Weight (g/mol) | 145.17 |
| MDL Number | MFCD00462821 |
| SMILES | NC1=CC=C2N=CC=NC2=C1 |
| Synonym | 6-aminoquinoxaline,6-quinoxalinamine,6-quinoxalinylamine,quinoxalin-6-ylamine,quinoxaline-6-ylamine,6-chinoxalinamin,6-amino-quinoxaline,pubchem15453,quinoxalin, 6-amino |
| IUPAC Name | quinoxalin-6-amine |
| InChI Key | MSGRFBKVMUKEGZ-UHFFFAOYSA-N |
| Molecular Formula | C8H7N3 |
3-Piperidinobenzaldehyde, 95%, Thermo Scientific™
CAS: 669050-72-0 Molecular Formula: C12H15NO Molecular Weight (g/mol): 189.258 InChI Key: FXXQUTSXXILOMY-UHFFFAOYSA-N Synonym: 3-piperidinobenzaldehyde,3-piperidin-1-yl benzaldehyde,benzaldehyde, 3-1-piperidinyl,3-piperidylbenzaldehyde,3-1-piperidinyl benzaldehyde PubChem CID: 7164587 IUPAC Name: 3-piperidin-1-ylbenzaldehyde SMILES: C1CCN(CC1)C2=CC=CC(=C2)C=O
| PubChem CID | 7164587 |
|---|---|
| CAS | 669050-72-0 |
| Molecular Weight (g/mol) | 189.258 |
| SMILES | C1CCN(CC1)C2=CC=CC(=C2)C=O |
| Synonym | 3-piperidinobenzaldehyde,3-piperidin-1-yl benzaldehyde,benzaldehyde, 3-1-piperidinyl,3-piperidylbenzaldehyde,3-1-piperidinyl benzaldehyde |
| IUPAC Name | 3-piperidin-1-ylbenzaldehyde |
| InChI Key | FXXQUTSXXILOMY-UHFFFAOYSA-N |
| Molecular Formula | C12H15NO |
2-piperidinoaniline, 97%, Thermo Scientific™
CAS: 39643-31-7 Molecular Formula: C11H16N2 Molecular Weight (g/mol): 176.26 MDL Number: MFCD00047467 InChI Key: OYECAJPUPWFCSL-UHFFFAOYSA-N Synonym: 2-piperidinoaniline,2-piperidin-1-yl aniline,2-piperidin-1-yl-phenylamine,benzenamine, 2-1-piperidinyl,n-2-aminophenyl piperidine,2-1-piperidinyl aniline,2-1-piperidino aniline,1-2-aminophenyl piperidine,2-piperidylphenylamine,2-piperdinoaniline PubChem CID: 458795 IUPAC Name: 2-piperidin-1-ylaniline SMILES: NC1=CC=CC=C1N1CCCCC1
| PubChem CID | 458795 |
|---|---|
| CAS | 39643-31-7 |
| Molecular Weight (g/mol) | 176.26 |
| MDL Number | MFCD00047467 |
| SMILES | NC1=CC=CC=C1N1CCCCC1 |
| Synonym | 2-piperidinoaniline,2-piperidin-1-yl aniline,2-piperidin-1-yl-phenylamine,benzenamine, 2-1-piperidinyl,n-2-aminophenyl piperidine,2-1-piperidinyl aniline,2-1-piperidino aniline,1-2-aminophenyl piperidine,2-piperidylphenylamine,2-piperdinoaniline |
| IUPAC Name | 2-piperidin-1-ylaniline |
| InChI Key | OYECAJPUPWFCSL-UHFFFAOYSA-N |
| Molecular Formula | C11H16N2 |
2-piperidinobenzamide, 97%, Thermo Scientific™
CAS: 3430-40-8 Molecular Formula: C12H16N2O Molecular Weight (g/mol): 204.27 MDL Number: MFCD00052257 InChI Key: VTXYPPVXMJMLCY-UHFFFAOYSA-N Synonym: 2-piperidinobenzamide,2-piperidin-1-yl benzamide,benzamide,2-1-piperidinyl,2-piperidylbenzamide,piperidinyl benzamide,maybridge1_000974,2-1-piperidinyl benzamide,benzamide, 2-1-piperidinyl PubChem CID: 335067 SMILES: NC(=O)C1=CC=CC=C1N1CCCCC1
| PubChem CID | 335067 |
|---|---|
| CAS | 3430-40-8 |
| Molecular Weight (g/mol) | 204.27 |
| MDL Number | MFCD00052257 |
| SMILES | NC(=O)C1=CC=CC=C1N1CCCCC1 |
| Synonym | 2-piperidinobenzamide,2-piperidin-1-yl benzamide,benzamide,2-1-piperidinyl,2-piperidylbenzamide,piperidinyl benzamide,maybridge1_000974,2-1-piperidinyl benzamide,benzamide, 2-1-piperidinyl |
| InChI Key | VTXYPPVXMJMLCY-UHFFFAOYSA-N |
| Molecular Formula | C12H16N2O |
2-Morpholinophenol, 97%, Thermo Scientific™
CAS: 41536-44-1 Molecular Formula: C10H13NO2 Molecular Weight (g/mol): 179.219 MDL Number: MFCD00051674 InChI Key: VMPYFWTYGZZUMY-UHFFFAOYSA-N PubChem CID: 2795394 IUPAC Name: 2-morpholin-4-ylphenol SMILES: C1COCCN1C2=CC=CC=C2O
| PubChem CID | 2795394 |
|---|---|
| CAS | 41536-44-1 |
| Molecular Weight (g/mol) | 179.219 |
| MDL Number | MFCD00051674 |
| SMILES | C1COCCN1C2=CC=CC=C2O |
| IUPAC Name | 2-morpholin-4-ylphenol |
| InChI Key | VMPYFWTYGZZUMY-UHFFFAOYSA-N |
| Molecular Formula | C10H13NO2 |
2-Morpholinobenzylamine, 97%, Thermo Scientific™
CAS: 204078-48-8 Molecular Formula: C11H16N2O Molecular Weight (g/mol): 192.26 MDL Number: MFCD03086183 InChI Key: RNYURNUANACIKS-UHFFFAOYSA-N Synonym: 2-morpholinobenzylamine,2-morpholinophenyl methanamine,2-morpholin-4-yl phenyl methanamine,2-morpholin-4-yl-benzylamine,2-morpholin-4-yl benzylamine,2-4-morpholinyl phenyl methanamine,1-2-morpholin-4-yl phenyl methanamine,2-morpholin-4-ylphenyl methylamine,2-morpholino benzylamine,2-morpholin-4-ylbenzylamine PubChem CID: 2776563 IUPAC Name: (2-morpholin-4-ylphenyl)methanamine SMILES: NCC1=CC=CC=C1N1CCOCC1
| PubChem CID | 2776563 |
|---|---|
| CAS | 204078-48-8 |
| Molecular Weight (g/mol) | 192.26 |
| MDL Number | MFCD03086183 |
| SMILES | NCC1=CC=CC=C1N1CCOCC1 |
| Synonym | 2-morpholinobenzylamine,2-morpholinophenyl methanamine,2-morpholin-4-yl phenyl methanamine,2-morpholin-4-yl-benzylamine,2-morpholin-4-yl benzylamine,2-4-morpholinyl phenyl methanamine,1-2-morpholin-4-yl phenyl methanamine,2-morpholin-4-ylphenyl methylamine,2-morpholino benzylamine,2-morpholin-4-ylbenzylamine |
| IUPAC Name | (2-morpholin-4-ylphenyl)methanamine |
| InChI Key | RNYURNUANACIKS-UHFFFAOYSA-N |
| Molecular Formula | C11H16N2O |
6-Methoxynicotinonitrile, 97%, Thermo Scientific™
CAS: 15871-85-9 Molecular Formula: C7H6N2O Molecular Weight (g/mol): 134.138 MDL Number: MFCD00084981 InChI Key: DFPYAQAFVHRSAG-UHFFFAOYSA-N Synonym: 6-methoxynicotinonitrile,2-methoxypyridine-5-carbonitrile,6-methoxy-3-pyridinecarbonitrile,2-methoxy-5-cyanopyridine,5-cyano-2-methoxypyridine,2-methoxy-5-pyridinecarbonitrile,6-methoxy-nicotinonitrile,3-pyridinecarbonitrile, 6-methoxy,6-metoxynicotinonitrile,pubchem15154 PubChem CID: 2736776 IUPAC Name: 6-methoxypyridine-3-carbonitrile SMILES: COC1=NC=C(C=C1)C#N
| PubChem CID | 2736776 |
|---|---|
| CAS | 15871-85-9 |
| Molecular Weight (g/mol) | 134.138 |
| MDL Number | MFCD00084981 |
| SMILES | COC1=NC=C(C=C1)C#N |
| Synonym | 6-methoxynicotinonitrile,2-methoxypyridine-5-carbonitrile,6-methoxy-3-pyridinecarbonitrile,2-methoxy-5-cyanopyridine,5-cyano-2-methoxypyridine,2-methoxy-5-pyridinecarbonitrile,6-methoxy-nicotinonitrile,3-pyridinecarbonitrile, 6-methoxy,6-metoxynicotinonitrile,pubchem15154 |
| IUPAC Name | 6-methoxypyridine-3-carbonitrile |
| InChI Key | DFPYAQAFVHRSAG-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2O |
Methyle2,6-dichloroisonicotinate, 97%, Thermo Scientific™
CAS: 42521-09-5 Molecular Formula: C7H5Cl2NO2 Molecular Weight (g/mol): 206.02 MDL Number: MFCD00044409 InChI Key: XSKGHSUHOYEBTK-UHFFFAOYSA-N PubChem CID: 93237 IUPAC Name: methyl 2,6-dichloropyridine-4-carboxylate SMILES: COC(=O)C1=CC(Cl)=NC(Cl)=C1
| PubChem CID | 93237 |
|---|---|
| CAS | 42521-09-5 |
| Molecular Weight (g/mol) | 206.02 |
| MDL Number | MFCD00044409 |
| SMILES | COC(=O)C1=CC(Cl)=NC(Cl)=C1 |
| IUPAC Name | methyl 2,6-dichloropyridine-4-carboxylate |
| InChI Key | XSKGHSUHOYEBTK-UHFFFAOYSA-N |
| Molecular Formula | C7H5Cl2NO2 |