3-Chloro-L-alanine hydrochloride

C₃H₇Cl₂NO₂CAS 51887-89-9159.99 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Primary amine

Properties

Molecular formula: C₃H₇Cl₂NO₂
Molar mass: 159.99 g/mol
Exact mass: 158.9854 Da
logP: 0.06Crippen estimate
Polar surface area: 63.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2
Stereocentres: Rin 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

51887-89-9

SMILES

C([C@@H](C(=O)O)N)Cl.Cl

InChIKey

IENJPSDBNBGIEL-DKWTVANSSA-N

InChI

InChI=1S/C3H6ClNO2.ClH/c4-1-2(5)3(6)7;/h2H,1,5H2,(H,6,7);1H/t2-;/m0./s1

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Names and synonyms

1 names

(R)-2-Amino-3-chloropropanoic acid hydrochloride

Work with 3-Chloro-L-alanine 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.

Chloroalanine2731-73-9Free base

Similar compounds

(S)-(+)-2,3-Diaminopropionic acid hydrochloride1482-97-962 % similar DL-2,3-Diaminopropionic acid hydrochloride54897-59-562 % similar DL-2,3-Diaminopropionic acid hydrochloride6018-55-962 % similar (R)-(-)-2,3-Diaminopropionic acid hydrochloride6018-56-062 % similar (±)-Cysteine hydrochloride10318-18-060 % similar Cystine dihydrochloride30925-07-660 % similar (S)-2-Amino-3-mercaptopropanoic acid hydrochloride32443-99-560 % similar L-Cystine, hydrochloride (1:?)34760-60-660 % similar

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

Elsewhere

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