Basic information
- CAS
16825-87-9- Standard SMILES
CC[NH+](CCCl)CCOc1cc(C)c(OC(C)=O)cc1C(C)C.[Cl-]- InChIKey
VOKBSNAQIFOZKY-UHFFFAOYSA-N- Molecular formula
- C18H29Cl2NO3
- Average molar mass
- 378.3 g/mol
- Monoisotopic mass
- 377.1524492
Names & identifiers
- Preferred name
- WV 796
- IUPAC
- 2-(4-acetyloxy-5-methyl-2-propan-2-ylphenoxy)ethyl-(2-chloroethyl)-ethylazanium chloride
Names & synonyms
WV 79616825-87-9RefChem:11010685-(2-(N-(2-Chloroethyl)-N-ethylamino)ethoxy)carvacrol acetate hydrochlorideCARVACROL, 5-(2-(N-(2-CHLOROETHYL)-N-ETHYLAMINO)ETHOXY)-, ACETATE, HYDROCHLORIDE
Database identifiers
- CAS
16825-87-9- PubChem CID
- 28101
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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