Basic information
- CAS
99858-23-8- Standard SMILES
O[N+](CCCl)(CCCl)Cc1ccccc1.[Cl-]- InChIKey
GCYSDIMSFLLISS-UHFFFAOYSA-M- Molecular formula
- C11H16Cl3NO
- Average molar mass
- 284.6 g/mol
- Monoisotopic mass
- 283.029747
Names & identifiers
- Preferred name
- Benzylamine, N,N-bis(2-chloroethyl)-, N-oxide, hydrochloride
- IUPAC
- benzyl-bis(2-chloroethyl)-hydroxyazanium chloride
Names & synonyms
BENZYLAMINE, N,N-BIS(2-CHLOROETHYL)-, N-OXIDE, HYDROCHLORIDE99858-23-8RefChem:1079493N,N-Bis(2-chloroethyl)benzylamine N-oxide hydrochlorideDTXSID60912433Benzylbis(2-chloroethyl)hydroxyammonium chlorideBenzylbis(2-chloroethyl)(hydroxy)ammonium chloride
Database identifiers
- CAS
99858-23-8- PubChem CID
- 57548
- DTXSID
DTXSID60912433
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 166
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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