Basic information
- CAS
18628-37-0- Standard SMILES
COc1ccc(Br)cc1C[NH+](CCCl)CCCl.[Cl-]- InChIKey
TZJYOZCTYCBVCE-UHFFFAOYSA-N- Molecular formula
- C12H17BrCl3NO
- Average molar mass
- 377.5 g/mol
- Monoisotopic mass
- 374.95591
Names & identifiers
- Preferred name
- N,N-Bis(2-chloroethyl)-3-bromo-6-methoxybenzylamine hydrochloride
- IUPAC
- (5-bromo-2-methoxyphenyl)methyl-bis(2-chloroethyl)azanium chloride
Names & synonyms
N,N-Bis(2-chloroethyl)-3-bromo-6-methoxybenzylamine hydrochloride18628-37-02-Methoxy-5-bromobenzyl-bis-(beta-chloroethyl) amine hydrochlorid2EBENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-3-BROMO-6-METHOXY-, HYDROCHLORIDE
Database identifiers
- CAS
18628-37-0- PubChem CID
- 29155
Properties
Computed structural properties
- Topological polar surface area
- 13.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 203
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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