Benzenemethanamine, 5-chloro-N,N-bis(2-chloroethyl)-2-methoxy-
Basic information
- CAS
64236-09-5- Standard SMILES
COc1ccc(Cl)cc1CN(CCCl)CCCl- InChIKey
GSOCHZQGSXKWCI-UHFFFAOYSA-N- Molecular formula
- C12H16Cl3NO
- Average molar mass
- 296.6 g/mol
- Monoisotopic mass
- 295.029747
Names & identifiers
- Preferred name
- Benzenemethanamine, 5-chloro-N,N-bis(2-chloroethyl)-2-methoxy-
- IUPAC
- 2-chloro-N-(2-chloroethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]ethanamine
Names & synonyms
Benzenemethanamine, 5-chloro-N,N-bis(2-chloroethyl)-2-methoxy-64236-09-55-Chloro-N,N-bis(2-chloroethyl)-2-methoxybenzenemethanamineDTXSID302144362-Chloro-N-(2-chloroethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]ethan-1-amine
Database identifiers
- CAS
64236-09-5- PubChem CID
- 33678
- DTXSID
DTXSID30214436
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 200
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Compound notes
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