chempirical

L-Beta-homoalanine hydrochloride

C4H10ClNO2CAS 58610-41-6139.58 g/mol

Open in Covalent MOL file
OOHH2NHCl
Carboxylic acidPrimary amine

Properties

Molecular formula
C4H10ClNO2
Molar mass
139.58 g/mol
Exact mass
139.0400 Da
logP
0.23Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
58610-41-6
SMILES
C[C@@H](CC(=O)O)N.Cl
InChIKey
UHYVVUABAWKTJJ-DFWYDOINSA-N
InChI
InChI=1S/C4H9NO2.ClH/c1-3(5)2-4(6)7;/h3H,2,5H2,1H3,(H,6,7);1H/t3-;/m0./s1

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Names and synonyms

1 names
  • (s)-3-Aminobutanoic acid hydrochloride

Work with L-Beta-homoalanine 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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

β-Aminobutyric acid541-48-0Free base, stereo not defined β-Aminobutyric acid2835-82-7Free base, stereo not defined (-)-3-Aminobutyric acid3775-73-3Free base, enantiomer (S)-3-Aminobutyric acid3775-72-2Free base

Similar compounds

L-Beta-homoisoleucine hydrochloride219310-10-856 % similar (S)-3-Aminohexanedioic acid hydrochloride61884-74-052 % similar 3-Methylbutanoic acid503-74-250 % similar 3-Methylglutaric acid626-51-750 % similar (S)-(-)-Methylsuccinic acid2174-58-548 % similar (+)-Methylsuccinic acid3641-51-848 % similar 2-Methylsuccinic acid498-21-548 % similar Beta-hydroxybutyric acid300-85-647 % similar

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

Same formula

Methyl sarcosinate hydrochloride13515-93-0 (±)-Alanine methyl ester hydrochloride13515-97-4 (R)-2-Aminopropionic acid methyl ester hydrochloride14316-06-4 cis-3,4-Dihydroxypyrrolid...186393-21-5 Dimethylglycine hydrochloride2491-06-7 Alanine methyl ester hydrochloride2491-20-5 Methyl 3-aminopropionate hydrochloride3196-73-4 (s)-2-Aminobutanoic acid hydrochloride5959-29-5

Elsewhere

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