Basic information
- CAS
17035-95-9- Standard SMILES
CCOc1ccc(Br)cc1CN(CCCl)CCCl- InChIKey
NWJXPAURJYBKMG-UHFFFAOYSA-N- Molecular formula
- C13H18BrCl2NO
- Average molar mass
- 355.1 g/mol
- Monoisotopic mass
- 352.99488
Names & identifiers
- Preferred name
- Benzylamine, 5-bromo-N,N-bis(2-chloroethyl)-2-ethoxy-
- IUPAC
- N-[(5-bromo-2-ethoxyphenyl)methyl]-2-chloro-N-(2-chloroethyl)ethanamine
Names & synonyms
Benzylamine, 5-bromo-N,N-bis(2-chloroethyl)-2-ethoxy-17035-95-95-Bromo-N,N-bis(2-chloroethyl)-2-ethoxybenzylamineDTXSID90168845N-[(5-Bromo-2-ethoxyphenyl)methyl]-2-chloro-N-(2-chloroethyl)ethan-1-amine
Database identifiers
- CAS
17035-95-9- PubChem CID
- 29158
- DTXSID
DTXSID90168845
Properties
Computed structural properties
- XLogP
- 4
- 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
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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