WV 835
Basic information
- CAS
73771-68-3- Standard SMILES
Cc1cc(OCC[NH+](C)C)c(C(C)C)cc1OC(=O)c1ccccc1.[Cl-]- InChIKey
XATHRKGERYZALH-UHFFFAOYSA-N- Molecular formula
- C21H28ClNO3
- Average molar mass
- 377.9 g/mol
- Monoisotopic mass
- 377.1757714
Names & identifiers
- Preferred name
- WV 835
- IUPAC
- 2-(4-benzoyloxy-5-methyl-2-propan-2-ylphenoxy)ethyl-dimethylazanium chloride
Names & synonyms
WV 83573771-68-35-(2-(N,N-Dimethylamino)ethoxy)carvacrol benzylate hydrochlorideCARVACROL, 5-(2-(N,N-DIMETHYLAMINO)ETHOXY)-, BENZYLATE, HYDROCHLORIDERefChem:388403
Database identifiers
- CAS
73771-68-3- PubChem CID
- 52432
Properties
Computed structural properties
- Topological polar surface area
- 40 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 404
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…