Alanine, N,N-bis(2-chloroethyl)-, hydrochloride, DL-
Basic information
- CAS
2752-21-8- Standard SMILES
CC(C(=O)O)[NH+](CCCl)CCCl.[Cl-]- InChIKey
OSFZRZNDOBDGPU-UHFFFAOYSA-N- Molecular formula
- C7H14Cl3NO2
- Average molar mass
- 250.5 g/mol
- Monoisotopic mass
- 249.009012
Overview
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Names & identifiers
- Preferred name
- Alanine, N,N-bis(2-chloroethyl)-, hydrochloride, DL-
- IUPAC
- 1-carboxyethyl-bis(2-chloroethyl)azanium chloride
Names & synonyms
Alanine mustardNSC 176632752-21-8ALANINE, N,N-BIS(2-CHLOROETHYL)-, HYDROCHLORIDE, DL-N,N'-Bis(2-chloroethyl)alanine hydrochlorideALANINE, N,N'-BIS(2-CHLOROETHYL)-, HYDROCHLORIDEAI3-50855N,N-Bis(beta-chloroethyl) DL-alanine hydrochlorideN,N-Bis(beta-chloroethyl)d,l-alanine hydrochlorideN,N-Bis(beta-chloroethyl)-D,L-alanine hydrochloride1-CARBOXYETHYL-BIS(2-CHLOROETHYL)AZANIUM CHLORIDE
Database identifiers
- CAS
2752-21-8、3374-04-7- PubChem CID
- 17677
- ChEMBL
CHEMBL503881
Properties
Computed structural properties
- Topological polar surface area
- 41.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 137
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Compound notes
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