Hexanoic acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
Basic information
- CAS
78266-03-2- Standard SMILES
CCCC(C)C(C(=O)OCC[NH+](CC)CC)c1ccccc1.[Cl-]- InChIKey
SMEIVNGBAHZRLN-UHFFFAOYSA-N- Molecular formula
- C19H32ClNO2
- Average molar mass
- 341.9 g/mol
- Monoisotopic mass
- 341.212157
Names & identifiers
- Preferred name
- Hexanoic acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride
- IUPAC
- diethyl-[2-(3-methyl-2-phenylhexanoyl)oxyethyl]azanium chloride
Names & synonyms
Hexanoic acid, 3-methyl-2-phenyl-, 2-(diethylamino)ethyl ester, hydrochloride78266-03-2RefChem:10866142-(Diethylamino)ethyl alpha-phenyl-beta-methylcaproate hydrochlorideC 20032-(Diethylamino)ethyl 2-phenyl-3-methylcaproate hydrochloride2-(Diethylamino)ethyl 2-phenyl-3-methylhexanoate hydrochloride
Database identifiers
- CAS
78266-03-2- PubChem CID
- 54155
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 11
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 296
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Compound notes
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