Basic information
- CAS
66903-04-6- Standard SMILES
C=CC[NH+](CCCl)Cc1ccccc1.[Cl-]- InChIKey
DNAYAAMJPOMZQB-UHFFFAOYSA-N- Molecular formula
- C12H17Cl2N
- Average molar mass
- 246.17 g/mol
- Monoisotopic mass
- 245.0738049
Names & identifiers
- Preferred name
- Benzylamine, N-allyl-N-(2-chloroethyl)-, hydrochloride
- IUPAC
- benzyl-(2-chloroethyl)-prop-2-enylazanium chloride
Names & synonyms
BENZYLAMINE, N-ALLYL-N-(2-CHLOROETHYL)-, HYDROCHLORIDE66903-04-6RefChem:1079520N-Allyl-N-(2-chloroethyl)benzylamine hydrochloride
Database identifiers
- CAS
66903-04-6- PubChem CID
- 48337
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 152
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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