Basic information
- CAS
42740-32-9- Standard SMILES
CC[NH+](CC)CCOc1ccc(C(OC(=O)Nc2ccccc2)c2ccc(Cl)cc2Cl)cc1.[Cl-]- InChIKey
IOOKPKFWLTWGQV-UHFFFAOYSA-N- Molecular formula
- C26H29Cl3N2O3
- Average molar mass
- 523.9 g/mol
- Monoisotopic mass
- 522.124376
Names & identifiers
- Preferred name
- Benzyl alcohol, 2,4-dichloro-alpha-(4-(2-(diethylamino)ethoxy)phenyl)-, phenylcarbamate (ester), monohydrochloride
- IUPAC
- 2-[4-[(2,4-dichlorophenyl)-(phenylcarbamoyloxy)methyl]phenoxy]ethyl-diethylazanium chloride
Names & synonyms
42740-32-9Benzyl alcohol, 2,4-dichloro-alpha-(4-(2-(diethylamino)ethoxy)phenyl)-, phenylcarbamate (ester), monohydrochlorideRefChem:328540
Database identifiers
- CAS
42740-32-9- PubChem CID
- 39251
Properties
Computed structural properties
- Topological polar surface area
- 52 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 564
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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