Basic information
- CAS
64236-10-8- Standard SMILES
COc1ccc(CN(CCCl)CCCl)cc1Cl- InChIKey
SPYNVFXBZMBOMM-UHFFFAOYSA-N- Molecular formula
- C12H16Cl3NO
- Average molar mass
- 296.6 g/mol
- Monoisotopic mass
- 295.029747
Names & identifiers
- Preferred name
- Benzenemethanamine, 3-chloro-N,N-bis(2-chloroethyl)-4-methoxy-
- IUPAC
- 2-chloro-N-(2-chloroethyl)-N-[(3-chloro-4-methoxyphenyl)methyl]ethanamine
Names & synonyms
64236-10-82-chloro-N-(2-chloroethyl)-N-[(3-chloro-4-methoxyphenyl)methyl]ethanamineBenzenemethanamine, 3-chloro-N,N-bis(2-chloroethyl)-4-methoxy-N,N-bis(2-chloroethyl)-N-(3-chloro-4-methoxybenzyl)amineCHEMBL1620685DTXSID902144373-Chloro-N,N-bis(2-chloroethyl)-4-methoxybenzenemethanamineAKOS000505098NCGC00245110-01ST50227798AE-848/31943002bis(2-chloroethyl)[(3-chloro-4-methoxyphenyl)methyl]amine
Show more names
2-Chloro-N-(2-chloroethyl)-N-[(3-chloro-4-methoxyphenyl)methyl]ethan-1-amine
Database identifiers
- CAS
64236-10-8- PubChem CID
- 31902
- DTXSID
DTXSID90214437- ChEMBL
CHEMBL1620685
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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