Benzamide, N-((bis(2-chloroethyl)amino)methyl)-
Basic information
- CAS
40478-14-6- Standard SMILES
O=C(NCN(CCCl)CCCl)c1ccccc1- InChIKey
PIDMEEULUWFMNP-UHFFFAOYSA-N- Molecular formula
- C12H16Cl2N2O
- Average molar mass
- 275.17 g/mol
- Monoisotopic mass
- 274.0639685
Names & identifiers
- Preferred name
- Benzamide, N-((bis(2-chloroethyl)amino)methyl)-
- IUPAC
- N-[bis(2-chloroethyl)aminomethyl]benzamide
Names & synonyms
BRN 1975294Benzamide, N-((bis(2-chloroethyl)amino)methyl)-N-((Bis(2-chloroethyl)amino)methyl)benzamide40478-14-6N-(Bis(2-chloraethyl)aminomethyl)benzamid [German]N-(Bis(2-chloraethyl)aminomethyl)benzamidn-{[bis(2-chloroethyl)amino]methyl}benzamideDTXSID20193483RefChem:322058DTXCID30115974
Database identifiers
- CAS
40478-14-6- PubChem CID
- 218311
- DTXSID
DTXSID20193483
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 215
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Compound notes
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