chempirical

Methyl 4-aminobutyrate hydrochloride

C5H12ClNO2CAS 13031-60-2153.61 g/mol

Open in Covalent MOL file
OONH2HCl
EsterPrimary amine

Properties

Molecular formula
C5H12ClNO2
Molar mass
153.61 g/mol
Exact mass
153.0557 Da
Melting point
105–107 °C
logP
0.32Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
13031-60-2
SMILES
COC(=O)CCCN.Cl
InChIKey
WPGPRLVPWACBHW-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NO2.ClH/c1-8-5(7)3-2-4-6;/h2-4,6H2,1H3;1H

Weigh it out

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

Names and synonyms

10 names
  • Butanoic acid, 4-amino-, methyl ester, hydrochloride (1:1)
  • Butyric acid, 4-amino-, methyl ester, hydrochloride
  • Butanoic acid, 4-amino-, methyl ester, hydrochloride
  • 4-Aminobutyric acid methyl ester hydrochloride
  • Methyl γ-aminobutyrate hydrochloride
  • GABA methyl ester hydrochloride
  • γ-Aminobutyric acid methyl ester hydrochloride
  • Methyl 4-aminobutanoate hydrochloride
  • 4-Aminobutanoic acid methyl ester hydrochloride
  • Methyl aminobutyrate hydrochloride

Work with Methyl 4-aminobutyrate hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 5-aminopentanoate hydrochloride29840-56-089 % similar Methyl 3-aminopropionate hydrochloride3196-73-478 % similar Dimethyl glutarate1119-40-064 % similar 4-Aminobutyric acid ethyl ester hydrochloride6937-16-263 % similar Dimethyladipate627-93-062 % similar H-Gamma-abu-otbu hcl58640-01-061 % similar Dimethyl sebacate106-79-659 % similar Dimethyl octadecanedioate1472-93-159 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

(S)-Alanine ethyl ester hydrochloride1115-59-9 (2S)-Morpholin-2-ylmethanol hydrochloride1313584-92-7 Propan-2-yl 2-aminoacetate hydrochloride14019-62-6 2-(Hydroxymethyl)morpholine hydrochloride144053-98-5 3-Dimethylaminopropionic acid hydrochloride14788-12-6 α-Aminoisobutyric acid methyl ester hydrochloride15028-41-8 (2S)-1,4-Dioxane-2-methanamine hydrochloride1523541-96-9 4-Piperidone hydrochloride hydrate320589-77-3

Elsewhere

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