Benzylamine, 2-tert-butyl-N-(2-chloroethyl)-4,6-dimethyl-N-ethyl-, hydrochloride
Basic information
- CAS
66903-07-9- Standard SMILES
CC[NH+](CCCl)Cc1c(C)cc(C)cc1C(C)(C)C.[Cl-]- InChIKey
XBYUPQOADDKLNS-UHFFFAOYSA-N- Molecular formula
- C17H29Cl2N
- Average molar mass
- 318.3 g/mol
- Monoisotopic mass
- 317.1677053
Names & identifiers
- Preferred name
- Benzylamine, 2-tert-butyl-N-(2-chloroethyl)-4,6-dimethyl-N-ethyl-, hydrochloride
- IUPAC
- (2-tert-butyl-4,6-dimethylphenyl)methyl-(2-chloroethyl)-ethylazanium chloride
Names & synonyms
66903-07-9BENZYLAMINE, 2-tert-BUTYL-N-(2-CHLOROETHYL)-4,6-DIMETHYL-N-ETHYL-, HYDROCHLORIDERefChem:10794852-tert-Butyl-N-(2-chloroethyl)-4,6-dimethyl-N-ethylbenzylamine hydrochloride
Database identifiers
- CAS
66903-07-9- PubChem CID
- 48343
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 258
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