Alanine, 2-(5-(bis(2-chloroethyl)amino)-2-benzimidazolyl)-
Basic information
- CAS
73680-54-3- Standard SMILES
CC(N)(C(=O)O)c1nc2ccc(N(CCCl)CCCl)cc2[nH]1- InChIKey
NAGXSOYAKRVKRE-UHFFFAOYSA-N- Molecular formula
- C14H18Cl2N4O2
- Average molar mass
- 345.2 g/mol
- Monoisotopic mass
- 344.08068118
Names & identifiers
- Preferred name
- Alanine, 2-(5-(bis(2-chloroethyl)amino)-2-benzimidazolyl)-
- IUPAC
- 2-amino-2-[6-[bis(2-chloroethyl)amino]-1H-benzimidazol-2-yl]propanoic acid
Names & synonyms
2-(5-(Bis-(2-chloroethyl)amino)-2-benzimidazolyl)alanine73680-54-3ALANINE, 2-(5-(BIS(2-CHLOROETHYL)AMINO)-2-BENZIMIDAZOLYL)-beta-(5-(6)-Bis-(beta'-chloroaethyl)-aminobenzimidazolyl-(2))-DL-alanin [German]beta-(5-(6)-Bis-(beta'-chloroaethyl)-aminobenzimidazolyl-(2))-DL-alaninRefChem:317947DTXSID709945082-{6-[Bis(2-chloroethyl)amino]-1H-benzimidazol-2-yl}alanine2-{6-[Bis(2-chloroethyl)amino]-1H-1,3-benzimidazol-2-yl}alanine
Database identifiers
- CAS
73680-54-3- PubChem CID
- 52108
- DTXSID
DTXSID70994508
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 95.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 395
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Compound notes
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