Basic information
- CAS
538-66-9- Standard SMILES
CCN(CC)CCCOC(=O)C=Cc1ccccc1.Cl- InChIKey
DHFMGRKPVMBKKX-UHFFFAOYSA-N- Molecular formula
- C16H24ClNO2
- Average molar mass
- 297.82 g/mol
- Monoisotopic mass
- 297.1495567
Overview
See also: Apothesine HCl (annotation moved to).
Names & identifiers
- Preferred name
- 2-Propenoic acid, 3-phenyl-, 3-(diethylamino)propyl ester, hydrochloride
- IUPAC
- 3-(diethylamino)propyl 3-phenylprop-2-enoate;hydrochloride
Names & synonyms
2-Propenoic acid, 3-phenyl-, 3-(diethylamino)propyl ester, hydrochlorideDTXSID408621493-(diethylamino)propyl 3-phenylprop-2-enoate;hydrochloride3-(Diethylamino)propyl 3-phenylprop-2-enoate--hydrogen chloride (1/1)
Database identifiers
- CAS
538-66-9- PubChem CID
- 10862
- DTXSID
DTXSID40862149
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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