chempirical

Chloroalanine

C3H6ClNO2CAS 2731-73-9123.54 g/mol

Open in Covalent MOL file
NH2ClOOH
Alkyl halideCarboxylic acidPrimary amine

Properties

Molecular formula
C3H6ClNO2
Molar mass
123.54 g/mol
Exact mass
123.0087 Da
Melting point
166–167 °C (decomposes)
logP
-0.36Crippen estimate
Polar surface area
63.3 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
2731-73-9
SMILES
N[C@@H](CCl)C(=O)O
InChIKey
ASBJGPTTYPEMLP-REOHCLBHSA-N
InChI
InChI=1S/C3H6ClNO2/c4-1-2(5)3(6)7/h2H,1,5H2,(H,6,7)/t2-/m0/s1

Weigh it out

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

Names and synonyms

8 names
  • L-Alanine, 3-chloro-
  • Alanine, 3-chloro-, L-
  • 3-Chloro-L-alanine
  • β-Chloro-L-alanine
  • L-β-Chloroalanine
  • (2R)-β-Chloroalanine
  • L-3-Chloroalanine
  • (R)-2-Amino-3-chloropropanoic acid

Work with Chloroalanine

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

Same formula

2-Chloroethyl carbamate2114-18-3 N-Methylol-α-chloroacetamide2832-19-1 2-Chloro-2-nitropropane594-71-8 1-Chloro-1-nitropropane600-25-9

Elsewhere

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