Alanine, 2-(5-(bis(2-chloroethyl)amino)-1-methyl-2-benzimidazolyl)-
Basic information
- CAS
73680-55-4- Standard SMILES
Cn1c(C(C)(N)C(=O)O)nc2cc(N(CCCl)CCCl)ccc21- InChIKey
XNTARCNXKIGRSR-UHFFFAOYSA-N- Molecular formula
- C15H20Cl2N4O2
- Average molar mass
- 359.2 g/mol
- Monoisotopic mass
- 358.09633124
Names & identifiers
- Preferred name
- Alanine, 2-(5-(bis(2-chloroethyl)amino)-1-methyl-2-benzimidazolyl)-
- IUPAC
- 2-amino-2-[5-[bis(2-chloroethyl)amino]-1-methylbenzimidazol-2-yl]propanoic acid
Names & synonyms
73680-55-42-(5-(Bis(2-chloroethyl)amino)-1-methyl-2-benzimidazolyl)alanineALANINE, 2-(5-(BIS(2-CHLOROETHYL)AMINO)-1-METHYL-2-BENZIMIDAZOLYL)-beta-(1-Methyl-5-bis-(beta'-chloraethyl)-amino-benzimidazolyl-(2))-DL-alanin [German]beta-(1-Methyl-5-bis-(beta'-chloraethyl)-amino-benzimidazolyl-(2))-DL-alaninRefChem:317945DTXSID309945092-{5-[Bis(2-chloroethyl)amino]-1-methyl-1H-1,3-benzimidazol-2-yl}alanine2-{5-[Bis(2-chloroethyl)amino]-1-methyl-1H-benzimidazol-2-yl}alanine
Database identifiers
- CAS
73680-55-4- PubChem CID
- 52109
- DTXSID
DTXSID30994509
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 84.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 422
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Compound notes
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