Basic information
- CAS
40478-22-6- Standard SMILES
Cc1ccc(C(=O)NCN(CCCl)CCCl)cc1- InChIKey
UBWPOXLXCDTFAS-UHFFFAOYSA-N- Molecular formula
- C13H18Cl2N2O
- Average molar mass
- 289.2 g/mol
- Monoisotopic mass
- 288.0796186
Names & identifiers
- Preferred name
- Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-methyl-
- IUPAC
- N-[bis(2-chloroethyl)aminomethyl]-4-methylbenzamide
Names & synonyms
BRN 197755840478-22-6Benzamide, N-((bis(2-chloroethyl)amino)methyl)-4-methyl-N-(Bis(2-chloraethyl)aminomethyl)-4-methylbenzamid [German]N-(Bis(2-chloraethyl)aminomethyl)-4-methylbenzamidRefChem:322063n-{[bis(2-chloroethyl)amino]methyl}-4-methylbenzamideN-((Bis(2-chloroethyl)amino)methyl)-4-methylbenzamideDTXSID80960855
Database identifiers
- CAS
40478-22-6- PubChem CID
- 218319
- DTXSID
DTXSID80960855
Properties
Computed structural properties
- XLogP
- 2.9
- 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
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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