Basic information
- CAS
3620-54-0- Standard SMILES
CCCCC(C(=O)OCCCN(CC)CC)c1ccccc1.Cl- InChIKey
DBNPXCOZOJRRIZ-UHFFFAOYSA-N- Molecular formula
- C19H32ClNO2
- Average molar mass
- 341.9 g/mol
- Monoisotopic mass
- 341.212157
Names & identifiers
- Preferred name
- Hexanoic acid, 2-phenyl-, 3-(diethylamino)propyl ester, hydrochloride
- IUPAC
- 3-(diethylamino)propyl 2-phenylhexanoate;hydrochloride
Names & synonyms
3620-54-0HEXANOIC ACID, 2-PHENYL-, 3-(DIETHYLAMINO)PROPYL ESTER, HYDROCHLORIDERefChem:10866113-(Diethylamino)propyl 2-phenylhexanoate hydrochloridePropanol, 3-(diethylamino)-, 2-phenylhexanoate, hydrochloridealpha-Phenyl-caproate du diethylamino-propanolchlorhydrate [French]alpha-Phenyl-caproate du diethylamino-propanolchlorhydrateDTXSID209576033-(Diethylamino)propyl 2-phenylhexanoate--hydrogen chloride (1/1)
Database identifiers
- CAS
3620-54-0- PubChem CID
- 199016
- DTXSID
DTXSID20957603
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 283
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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