Basic information
- CAS
16793-69-4- Standard SMILES
Cc1ccc(C(C)C)c(OCC[NH+](CCCl)Cc2ccccc2)c1.[Cl-]- InChIKey
HUOVSPHZAQPRFC-UHFFFAOYSA-N- Molecular formula
- C21H29Cl2NO
- Average molar mass
- 382.4 g/mol
- Monoisotopic mass
- 381.1626199
Names & identifiers
- Preferred name
- Benzylamine, N-(2-chloroethyl)-N-(2-(p-cymene-3-yloxy)ethyl)-, hydrochloride
- IUPAC
- benzyl-(2-chloroethyl)-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]azanium chloride
Names & synonyms
16793-69-4BENZYLAMINE, N-(2-CHLOROETHYL)-N-(2-(p-CYMENE-3-YLOXY)ETHYL)-, HYDROCHLORIDERefChem:10795032-Isopropyl-5-methylphenoxyethylbenzyl-beta-chloroethylamine hydrochlorideWV 810N-(2-Chloroethyl)-N-(2-(p-cymene-3-yloxy)ethyl)benzylamine hydrochlorideBenzylamine, N-(2-chloroethyl)-N-((4-methylcumenyl-2-oxy)ethyl)-, hydrochloride
Database identifiers
- CAS
16793-69-4- PubChem CID
- 28080
Properties
Computed structural properties
- Topological polar surface area
- 13.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 330
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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