Basic information
- CAS
64295-09-6- Standard SMILES
CCOc1ccc(Cl)cc1CN(CCCl)CCCl- InChIKey
RIQSOSWVKQYPER-UHFFFAOYSA-N- Molecular formula
- C13H18Cl3NO
- Average molar mass
- 310.6 g/mol
- Monoisotopic mass
- 309.045397
Names & identifiers
- Preferred name
- Benzenemethanamine, 5-chloro-N,N-bis(2-chloroethyl)-2-ethoxy-
- IUPAC
- 2-chloro-N-[(5-chloro-2-ethoxyphenyl)methyl]-N-(2-chloroethyl)ethanamine
Names & synonyms
Benzenemethanamine, 5-chloro-N,N-bis(2-chloroethyl)-2-ethoxy-64295-09-65-Chloro-N,N-bis(2-chloroethyl)-2-ethoxybenzenemethanamineDTXSID702145162-Chloro-N-[(5-chloro-2-ethoxyphenyl)methyl]-N-(2-chloroethyl)ethan-1-amine
Database identifiers
- CAS
64295-09-6- PubChem CID
- 33680
- DTXSID
DTXSID70214516
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 212
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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