Basic information
- CAS
77656-17-8- Standard SMILES
CC[NH+](CC)CCOC(=O)Nc1c(C)cc(C)cc1C.[Cl-]- InChIKey
KZSUKJGEYUBRCD-UHFFFAOYSA-N- Molecular formula
- C16H27ClN2O2
- Average molar mass
- 314.8 g/mol
- Monoisotopic mass
- 314.1761058
Names & identifiers
- Preferred name
- Carbanilic acid, 2,4,6-trimethyl-, 2-(diethylamino)ethyl ester, hydrochloride
- IUPAC
- diethyl-[2-[(2,4,6-trimethylphenyl)carbamoyloxy]ethyl]azanium chloride
Names & synonyms
77656-17-8CARBANILIC ACID, 2,4,6-TRIMETHYL-, 2-(DIETHYLAMINO)ETHYL ESTER, HYDROCHLORIDERefChem:10810352,4,6-Trimethylcarbanilic acid 2-(diethylamino)ethyl ester hydrochlorideCarbamic acid, (2,4,6-trimethylphenyl)-, 2-(diethylamino)ethyl ester, monohydrochloride
Database identifiers
- CAS
77656-17-8- PubChem CID
- 53706
Properties
Computed structural properties
- Topological polar surface area
- 42.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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