Ammonium, benzyl(2-chloroethyl)ethylmethyl-, methyl sulfate
Basic information
- CAS
66902-69-0- Standard SMILES
CC[N+](C)(CCCl)Cc1ccccc1.COS(=O)(=O)[O-]- InChIKey
MWKUVOJSLLBIPM-UHFFFAOYSA-M- Molecular formula
- C13H22ClNO4S
- Average molar mass
- 323.84 g/mol
- Monoisotopic mass
- 323.0958071
Names & identifiers
- Preferred name
- Ammonium, benzyl(2-chloroethyl)ethylmethyl-, methyl sulfate
- IUPAC
- benzyl-(2-chloroethyl)-ethyl-methylazanium;methyl sulfate
Names & synonyms
66902-69-0AMMONIUM, BENZYL(2-CHLOROETHYL)ETHYLMETHYL-, METHYL SULFATERefChem:1076845Benzyl(2-chloroethyl)ethylmethylammonium methyl sulfateDTXSID00985545N-Benzyl-2-chloro-N-ethyl-N-methylethan-1-aminium methyl sulfate
Database identifiers
- CAS
66902-69-0- PubChem CID
- 48289
- DTXSID
DTXSID00985545
Properties
Computed structural properties
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 245
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Related reactions
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Compound notes
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