Basic information
- CAS
7477-24-9- Standard SMILES
CCN(CC)CCOC(=O)C(c1ccccc1)C(O)C1CC=CCC1.Cl- InChIKey
NTNFEWBCQREGIH-UHFFFAOYSA-N- Molecular formula
- C21H32ClNO3
- Average molar mass
- 381.9 g/mol
- Monoisotopic mass
- 381.2070716
Names & identifiers
- Preferred name
- 2-(Diethylamino)ethyl 3-(cyclohex-3-en-1-yl)-3-hydroxy-2-phenylpropanoate--hydrogen chloride (1/1)
- IUPAC
- 2-(diethylamino)ethyl 3-cyclohex-3-en-1-yl-3-hydroxy-2-phenylpropanoate;hydrochloride
Names & synonyms
7477-24-9DTXSID909962862-(Diethylamino)ethyl 3-(cyclohex-3-en-1-yl)-3-hydroxy-2-phenylpropanoate--hydrogen chloride (1/1)RefChem:1061665DTXCID001423304NSC 400801alpha-Phenyl-3-cyclohexene-1-hydracrylic acid 2-(diethylamino)ethyl ester hydrochloride3-Cyclohexene-1-hydracrylic acid, alpha-phenyl-, 2-(diethylamino)ethyl ester, hydrochlorideNSC400801NSC-400801
Database identifiers
- CAS
7477-24-9- PubChem CID
- 202092
- DTXSID
DTXSID90996286
Properties
Computed structural properties
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 413
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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