Heptanoic acid, 2-phenyl-, 3-(diethylamino)propyl ester, hydrochloride
Basic information
- CAS
78265-99-3- Standard SMILES
CCCCCC(C(=O)OCCC[NH+](CC)CC)c1ccccc1.[Cl-]- InChIKey
UTLQFNPZWCRAIP-UHFFFAOYSA-N- Molecular formula
- C20H34ClNO2
- Average molar mass
- 355.9 g/mol
- Monoisotopic mass
- 355.227807
Names & identifiers
- Preferred name
- Heptanoic acid, 2-phenyl-, 3-(diethylamino)propyl ester, hydrochloride
- IUPAC
- diethyl-[3-(2-phenylheptanoyloxy)propyl]azanium chloride
Names & synonyms
HEPTANOIC ACID, 2-PHENYL-, 3-(DIETHYLAMINO)PROPYL ESTER, HYDROCHLORIDE78265-99-3RefChem:1086443(3-(Diethylamino)propyl) 2-phenylheptanoate hydrochlorideC 2000Benzeneacetic acid, alpha-pentyl-, 3-(diethylamino)propyl ester, hydrochlorideUTLQFNPZWCRAIP-UHFFFAOYSA-N
Database identifiers
- CAS
78265-99-3- PubChem CID
- 54153
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 13
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 296
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Related reactions
1 records
Compound notes
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