Benzamide, N-((bis(2-chloroethyl)amino)methyl)-2-chloro-
Basic information
- CAS
40478-17-9- Standard SMILES
O=C(NCN(CCCl)CCCl)c1ccccc1Cl- InChIKey
GFDZERAFHDVFQE-UHFFFAOYSA-N- Molecular formula
- C12H15Cl3N2O
- Average molar mass
- 309.6 g/mol
- Monoisotopic mass
- 308.024996
Names & identifiers
- Preferred name
- Benzamide, N-((bis(2-chloroethyl)amino)methyl)-2-chloro-
- IUPAC
- N-[bis(2-chloroethyl)aminomethyl]-2-chlorobenzamide
Names & synonyms
BRN 1986714N-((Bis(2-chloroethyl)amino)methyl)-2-chlorobenzamide40478-17-9Benzamide, N-((bis(2-chloroethyl)amino)methyl)-2-chloro-N-(Bis(2-chloraethyl)aminomethyl)-2-chlorbenzamid [German]N-(Bis(2-chloraethyl)aminomethyl)-2-chlorbenzamidRefChem:322059DTXSID20960854N-{[Bis(2-chloroethyl)amino]methyl}-2-chlorobenzene-1-carboximidic acid
Database identifiers
- CAS
40478-17-9- PubChem CID
- 218314
- DTXSID
DTXSID20960854
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 247
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Compound notes
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