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

Warning
Irritant (GHS07)

Aggregated from the 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
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

Weigh it out

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

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-homoleucine hydrochloride96386-92-458 % similar 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

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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