Baclofen

C₁₀H₁₂ClNO₂CAS 1134-47-0213.66 g/mol

Open in Covalent MOL file

Alcohol Carboxylic Acid Halogen Primary Amine

Properties

Molecular formula: C₁₀H₁₂ClNO₂
Molar mass: 213.66 g/mol
Exact mass: 213.0557 Da
Melting point: 206–208 °C
logP: 1.86Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 4

Identifiers

CAS number

1134-47-0

SMILES

NCC(CC(=O)O)c1ccc(Cl)cc1

InChIKey

KPYSYYIEGFHWSV-UHFFFAOYSA-N

InChI

InChI=1S/C10H12ClNO2/c11-9-3-1-7(2-4-9)8(6-12)5-10(13)14/h1-4,8H,5-6,12H2,(H,13,14)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

19 names · show all

Benzenepropanoic acid, β-(aminomethyl)-4-chloro-
Hydrocinnamic acid, β-(aminomethyl)-p-chloro-
β-(Aminomethyl)-4-chlorobenzenepropanoic acid
β-(Aminomethyl)-p-chlorohydrocinnamic acid
β-(4-Chlorophenyl)-γ-aminobutyric acid
Lioresal
Ba 34647
β-(p-Chlorophenyl)-γ-aminobutyric acid
β-p-Chlorophenyl-GABA
CIBA Ba 34647
4-Amino-3-(4-chlorophenyl)butyric acid
C 34647Ba
4-Amino-3-(p-chlorophenyl)butyric acid
DL-4-Amino-3-p-chlorophenylbutanoic acid
Dl-Baclofen
(±)-Baclofen
Baclon
4-Amino-3-(4-chlorophenyl)butanoic acid
(±)-4-Amino-3-(4-chlorophenyl)butanoic acid

Work with Baclofen

Predict the NMR spectrum1H and 13C shifts with multiplicities Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Same formula

Chlorpropham101-21-3 (βS)-β-Amino-2-chlorobenzenebutanoic acid270596-36-6 (βS)-β-Amino-4-chlorobenzenebutanoic acid270596-41-3 1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid hydrochloride41994-51-8 (-)-Baclofen69308-37-8

Elsewhere

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