chempirical

4-Aminobutyric acid ethyl ester hydrochloride

C6H14ClNO2CAS 6937-16-2167.63 g/mol

Open in Covalent MOL file
OONH2HCl
EsterPrimary amine

Properties

Molecular formula
C6H14ClNO2
Molar mass
167.63 g/mol
Exact mass
167.0713 Da
Melting point
38 °C
logP
0.71Crippen estimate
Polar surface area
52.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Identifiers

CAS number
6937-16-2
SMILES
CCOC(=O)CCCN.Cl
InChIKey
CXVQSUBJMYZELD-UHFFFAOYSA-N
InChI
InChI=1S/C6H13NO2.ClH/c1-2-9-6(8)4-3-5-7;/h2-5,7H2,1H3;1H

Weigh it out

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

Names and synonyms

8 names
  • Butanoic acid, 4-amino-, ethyl ester, hydrochloride (1:1)
  • Butyric acid, 4-amino-, ethyl ester, hydrochloride
  • Butanoic acid, 4-amino-, ethyl ester, hydrochloride
  • Ethyl γ-aminobutyrate hydrochloride
  • Ethyl 4-aminobutyrate hydrochloride
  • Ethyl 4-aminobutanoate hydrochloride
  • 4-Aminobutanoic acid ethyl ester hydrochloride
  • 4-Amino ethyl butyrate hydrochloride

Work with 4-Aminobutyric acid ethyl ester 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

7-Aminoheptanoic acid ethyl ester hydrochloride29840-65-187 % similar 3-Aminopropionic acid ethyl ester hydrochloride4244-84-279 % similar Diethyl glutarate818-38-267 % similar Methyl 4-aminobutyrate hydrochloride13031-60-263 % similar Diethyl sebacate110-40-762 % similar Diethyl pimelate2050-20-662 % similar Diethyl suberate2050-23-962 % similar Diethyl azelate624-17-962 % similar

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

Same formula

Ethyl α-aminoisobutyrate hydrochloride17288-15-2 Glycine tert-butyl ester hydrochloride27532-96-3 Methyl DL-valinate hydrochloride5619-05-6 L-Alanine isopropyl ester hydrochloride62062-65-1 Methyl L-valinate hydrochloride6306-52-1 N-tert-Butylglycine hydrochloride6939-23-7 Methyl D-valinate hydrochloride7146-15-8

Elsewhere

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