Benzenemethanamine, 5-bromo-N,N-bis(2-chloroethyl)-2-methoxy-
Basic information
- CAS
64236-08-4- Standard SMILES
COc1ccc(Br)cc1CN(CCCl)CCCl- InChIKey
YQQCSIJLYLYLJC-UHFFFAOYSA-N- Molecular formula
- C12H16BrCl2NO
- Average molar mass
- 341.07 g/mol
- Monoisotopic mass
- 338.97923
Names & identifiers
- Preferred name
- Benzenemethanamine, 5-bromo-N,N-bis(2-chloroethyl)-2-methoxy-
- IUPAC
- N-[(5-bromo-2-methoxyphenyl)methyl]-2-chloro-N-(2-chloroethyl)ethanamine
Names & synonyms
64236-08-4Benzenemethanamine, 5-bromo-N,N-bis(2-chloroethyl)-2-methoxy-5-Bromo-N,N-bis(2-chloroethyl)-2-methoxybenzenemethanamineDTXSID70214435N-[(5-Bromo-2-methoxyphenyl)methyl]-2-chloro-N-(2-chloroethyl)ethan-1-amine
Database identifiers
- CAS
64236-08-4- PubChem CID
- 29156
- DTXSID
DTXSID70214435
Properties
Computed structural properties
- XLogP
- 3.6
- 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
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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