Basic information
- CAS
7596-40-9- Standard SMILES
CCN(CC)CCOC(=O)C(c1ccccc1)C(O)C1=CCCC1.Cl- InChIKey
AAFHYBKOAIQHAR-UHFFFAOYSA-N- Molecular formula
- C20H30ClNO3
- Average molar mass
- 367.9 g/mol
- Monoisotopic mass
- 367.1914215
Names & identifiers
- Preferred name
- Benzeneacetic acid, alpha-(1-cyclopenten-1-ylhydroxymethyl)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)
- IUPAC
- 2-(diethylamino)ethyl 3-(cyclopenten-1-yl)-3-hydroxy-2-phenylpropanoate;hydrochloride
Names & synonyms
7596-40-9RefChem:1078309Benzeneacetic acid, alpha-(1-cyclopenten-1-ylhydroxymethyl)-, 2-(diethylamino)ethyl ester, hydrochloride (1:1)NSC 4007931-Cyclopentene-1-hydracrylic acid, alpha-phenyl-, 2-(diethylamino)ethyl ester, hydrochloridealpha-Phenyl-1-cyclopentene-1-hydracrylic acid 2-(diethylamino)ethyl ester hydrochlorideDTXSID30997318NSC400793NSC-400793DS-0131972-diethylaminoethyl 3-(1-cyclopentenyl)-3-hydroxy-2-phenyl-propanoate hydrochloride2-(Diethylamino)ethyl 3-(cyclopent-1-en-1-yl)-3-hydroxy-2-phenylpropanoate--hydrogen chloride (1/1)
Database identifiers
- CAS
7596-40-9- PubChem CID
- 73546
- DTXSID
DTXSID30997318
Properties
Computed structural properties
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 10
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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