BENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-p-ETHYL-
Basic information
- CAS
30389-87-8- Standard SMILES
CCc1ccc(CN(CCCl)CCCl)cc1- InChIKey
OZVSXTNKNGSAGE-UHFFFAOYSA-N- Molecular formula
- C13H19Cl2N
- Average molar mass
- 260.2 g/mol
- Monoisotopic mass
- 259.089455
Names & identifiers
- Preferred name
- BENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-p-ETHYL-
- IUPAC
- 2-chloro-N-(2-chloroethyl)-N-[(4-ethylphenyl)methyl]ethanamine
Names & synonyms
N,N-Bis(2-chloroethyl)-4-ethylbenzylamineBENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-p-ETHYL-30389-87-8Benzenemethanamine, N,N-bis(2-chloroethyl)-4-ethyl-DTXSID401844742-Chloro-N-(2-chloroethyl)-N-[(4-ethylphenyl)methyl]ethan-1-amine
Database identifiers
- CAS
30389-87-8- PubChem CID
- 35327
- DTXSID
DTXSID40184474
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 3.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 161
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Compound notes
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