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Phenylbutylamines

Organic compounds that contain a phenyl ring with a butyl group bonded to an amino functional group.
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1 – 11 of 11 results
1

Thermo Scientific Chemicals (±)-Verapamil hydrochloride, 99+%

CAS: 152-11-4 Molecular Formula: C27H38N2O4·HCl Molecular Weight (g/mol): 491.07 MDL Number: MFCD00055208 InChI Key: DOQPXTMNIUCOSY-UHFFFAOYSA-N Synonym: verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril PubChem CID: 62969 IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride SMILES: CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl

PubChem CID 62969
CAS 152-11-4
Molecular Weight (g/mol) 491.07
MDL Number MFCD00055208
SMILES CC(C)C(CCCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
Synonym verapamil hydrochloride,verapamil hcl,manidon,calcan hydrochloride,cardibeltin,cardiabeltin,cardioprotect,veroptinstada,calaptin,caveril
IUPAC Name 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile;hydrochloride
InChI Key DOQPXTMNIUCOSY-UHFFFAOYSA-N
Molecular Formula C27H38N2O4·HCl
2

Thermo Scientific Chemicals Citalopram hydrobromide

CAS: 59729-32-7 Molecular Formula: C20H21FN2O·HBr Molecular Weight (g/mol): 405.3 InChI Key: WIHMBLDNRMIGDW-UHFFFAOYSA-N Synonym: citalopram hydrobromide,citalopram hbr,cipramil,celexa,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile hydrobromide,elopram,seropram,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydro-5-isobenzofurancarbonitrile hydrobromide,citalopram hydrobromide usan PubChem CID: 77995 IUPAC Name: 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide SMILES: CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br

PubChem CID 77995
CAS 59729-32-7
Molecular Weight (g/mol) 405.3
SMILES CN(C)CCCC1(C2=C(CO1)C=C(C=C2)C#N)C3=CC=C(C=C3)F.Br
Synonym citalopram hydrobromide,citalopram hbr,cipramil,celexa,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydroisobenzofuran-5-carbonitrile hydrobromide,elopram,seropram,1-3-dimethylamino propyl-1-4-fluorophenyl-1,3-dihydro-5-isobenzofurancarbonitrile hydrobromide,citalopram hydrobromide usan
IUPAC Name 1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl)-3H-2-benzofuran-5-carbonitrile;hydrobromide
InChI Key WIHMBLDNRMIGDW-UHFFFAOYSA-N
Molecular Formula C20H21FN2O·HBr
3

4-phenylbutyl isothiocyanate, Thermo Scientific™

CAS: 61499-10-3 Molecular Formula: C11H13NS Molecular Weight (g/mol): 191.292 MDL Number: MFCD00052335 InChI Key: CCBQOLFAKKAMLD-UHFFFAOYSA-N Synonym: 4-phenylbutyl isothiocyanate,4-phenylbutylisothiocyanate,4-isothiocyanatobutyl benzene,phenylbutyl isothiocyanate,ccris 3148,1-isothiocyanato-4-phenylbutane,4-phenylbutylisolthiocyanate,benzene, 4-isothiocyanatobutyl,4-phenylbutanisothiocyanate,4-isothiocyanatobutyl benzene, 9ci PubChem CID: 124881 IUPAC Name: 4-isothiocyanatobutylbenzene SMILES: C1=CC=C(C=C1)CCCCN=C=S

PubChem CID 124881
CAS 61499-10-3
Molecular Weight (g/mol) 191.292
MDL Number MFCD00052335
SMILES C1=CC=C(C=C1)CCCCN=C=S
Synonym 4-phenylbutyl isothiocyanate,4-phenylbutylisothiocyanate,4-isothiocyanatobutyl benzene,phenylbutyl isothiocyanate,ccris 3148,1-isothiocyanato-4-phenylbutane,4-phenylbutylisolthiocyanate,benzene, 4-isothiocyanatobutyl,4-phenylbutanisothiocyanate,4-isothiocyanatobutyl benzene, 9ci
IUPAC Name 4-isothiocyanatobutylbenzene
InChI Key CCBQOLFAKKAMLD-UHFFFAOYSA-N
Molecular Formula C11H13NS
6

rac Desmethyl Citalopram Hydrobromide, TRC

CAS: 1188264-72-3 Molecular Formula: C19 H19 F N2 O . Br H Molecular Weight (g/mol): 391.28 Synonym: 5-Isobenzofurancarbonitrile, 1-(4-fluorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]-, hydrobromide (1:1),(1RS)-1-(4-Fluorophenyl)-1-[3-(methylamino)propyl]-1,3-dihydroisobenzofuran-5-carbonitrile Hydrobromide,Desmethylcitalopram Hydrobromide,rac Desmethyl Citalopram Hydrobromide IUPAC Name: 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrobromide SMILES: Br.CNCCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3

CAS 1188264-72-3
Molecular Weight (g/mol) 391.28
SMILES Br.CNCCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
Synonym 5-Isobenzofurancarbonitrile, 1-(4-fluorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]-, hydrobromide (1:1),(1RS)-1-(4-Fluorophenyl)-1-[3-(methylamino)propyl]-1,3-dihydroisobenzofuran-5-carbonitrile Hydrobromide,Desmethylcitalopram Hydrobromide,rac Desmethyl Citalopram Hydrobromide
IUPAC Name 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrobromide
Molecular Formula C19 H19 F N2 O . Br H
7

rac Didemethyl Citalopram-d6 Hydrochloride, TRC

CAS: 1189865-88-0 Molecular Formula: C18H12D6ClFN2O Molecular Weight (g/mol): 338.84 SMILES: Cl.[2H]C([2H])(N)C([2H])([2H])C([2H])([2H])C1(OCc2cc(ccc12)C#N)c3ccc(F)cc3

CAS 1189865-88-0
Molecular Weight (g/mol) 338.84
SMILES Cl.[2H]C([2H])(N)C([2H])([2H])C([2H])([2H])C1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
Molecular Formula C18H12D6ClFN2O
8

3,4-Dimethoxy-Alpha-[3-(methylamino)propyl]-Alpha-(1-methylethyl)-benzeneacetonitrile Hydrochloride, TRC

CAS: 67775-97-7 Molecular Formula: C17 H26 N2 O2 . Cl H Molecular Weight (g/mol): 326.86 Synonym: (2RS)-2-(3,4-Dimethoxyphenyl)-5-(methylamino)-2-(1-methylethyl)pentanenitrile Hydrochloride,Verapamil Hydrochloride Imp. F (EP) as Hydrochloride,Benzeneacetonitrile, 3,4-dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)-, hydrochloride (1:1) (ACI),Benzeneacetonitrile, 3,4-dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)-, monohydrochloride (9CI),3,4-Dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)benzeneacetonitrile monohydrochloride IUPAC Name: 2-(3,4-dimethoxyphenyl)-5-(methylamino)-2-propan-2-ylpentanenitrile;hydrochloride SMILES: Cl.CNCCCC(C#N)(C(C)C)c1ccc(OC)c(OC)c1

CAS 67775-97-7
Molecular Weight (g/mol) 326.86
SMILES Cl.CNCCCC(C#N)(C(C)C)c1ccc(OC)c(OC)c1
Synonym (2RS)-2-(3,4-Dimethoxyphenyl)-5-(methylamino)-2-(1-methylethyl)pentanenitrile Hydrochloride,Verapamil Hydrochloride Imp. F (EP) as Hydrochloride,Benzeneacetonitrile, 3,4-dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)-, hydrochloride (1:1) (ACI),Benzeneacetonitrile, 3,4-dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)-, monohydrochloride (9CI),3,4-Dimethoxy-α-[3-(methylamino)propyl]-α-(1-methylethyl)benzeneacetonitrile monohydrochloride
IUPAC Name 2-(3,4-dimethoxyphenyl)-5-(methylamino)-2-propan-2-ylpentanenitrile;hydrochloride
Molecular Formula C17 H26 N2 O2 . Cl H
9

rac Desmethyl Citalopram Hydrochloride, TRC

CAS: 97743-99-2 Molecular Formula: C19 H19 F N2 O . Cl H Molecular Weight (g/mol): 346.83 Synonym: (1RS)-1-(4-Fluorophenyl)-1-[3-(methylamino)propyl]-1,3-dihydroisobenzofuran-5-carbonitrile Hydrochloride,Citalopram Hydrobromide Imp. D (EP) as Hydrochloride,Desmethylcitalopram Hydrochloride,1-(4-Fluorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]-5-isobenzofurancarbonitrile monohydrochloride,Lu 11-109C IUPAC Name: 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrochloride SMILES: Cl.CNCCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3

CAS 97743-99-2
Molecular Weight (g/mol) 346.83
SMILES Cl.CNCCCC1(OCc2cc(ccc12)C#N)c3ccc(F)cc3
Synonym (1RS)-1-(4-Fluorophenyl)-1-[3-(methylamino)propyl]-1,3-dihydroisobenzofuran-5-carbonitrile Hydrochloride,Citalopram Hydrobromide Imp. D (EP) as Hydrochloride,Desmethylcitalopram Hydrochloride,1-(4-Fluorophenyl)-1,3-dihydro-1-[3-(methylamino)propyl]-5-isobenzofurancarbonitrile monohydrochloride,Lu 11-109C
IUPAC Name 1-(4-fluorophenyl)-1-[3-(methylamino)propyl]-3H-2-benzofuran-5-carbonitrile;hydrochloride
Molecular Formula C19 H19 F N2 O . Cl H
10

Ibutilide hemifumarate salt, 99%, Thermo Scientific Chemicals

CAS: 122647-32-9 Molecular Formula: C44H76N4O10S2 Molecular Weight (g/mol): 885.23 MDL Number: MFCD01715410 InChI Key: PCIOHQNIRPWFMV-WXXKFALUNA-N Synonym: ibutilide fumarate,corvert,ibutilide fumarate usan,ibutilide hemifumarate,ibutilide hemifumarate salt,corvert tn,+--4'-4-ethylheptylamino-1-hydroxybutyl methanesulfoanilide e-2-butenedioate 2:1,+--4'-4-ethylheptylamino-1-hydroxybutyl methanesulfonanilide fumarate 2:1 salt,+--n-4-4-ethylheptylamino-1-hydroxybutyl phenyl methanesulfonamide e-butenedioate PubChem CID: 5281065 IUPAC Name: (E)-but-2-enedioic acid;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide SMILES: OC(=O)\C=C\C(O)=O.CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1.CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1

PubChem CID 5281065
CAS 122647-32-9
Molecular Weight (g/mol) 885.23
MDL Number MFCD01715410
SMILES OC(=O)\C=C\C(O)=O.CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1.CCCCCCCN(CC)CCCC(O)C1=CC=C(NS(C)(=O)=O)C=C1
Synonym ibutilide fumarate,corvert,ibutilide fumarate usan,ibutilide hemifumarate,ibutilide hemifumarate salt,corvert tn,+--4'-4-ethylheptylamino-1-hydroxybutyl methanesulfoanilide e-2-butenedioate 2:1,+--4'-4-ethylheptylamino-1-hydroxybutyl methanesulfonanilide fumarate 2:1 salt,+--n-4-4-ethylheptylamino-1-hydroxybutyl phenyl methanesulfonamide e-butenedioate
IUPAC Name (E)-but-2-enedioic acid;N-[4-[4-[ethyl(heptyl)amino]-1-hydroxybutyl]phenyl]methanesulfonamide
InChI Key PCIOHQNIRPWFMV-WXXKFALUNA-N
Molecular Formula C44H76N4O10S2