Basic information
- CAS
67032-23-9- Standard SMILES
CCC(COC(=O)c1ccccc1)[NH2+]C1CCCC1.[Cl-]- InChIKey
XNFIHZRAKBQJKQ-UHFFFAOYSA-N- Molecular formula
- C16H24ClNO2
- Average molar mass
- 297.82 g/mol
- Monoisotopic mass
- 297.1495567
Names & identifiers
- Preferred name
- Benzoic acid, 2-(cyclopentylamino)butyl ester, hydrochloride
- IUPAC
- 1-benzoyloxybutan-2-yl(cyclopentyl)azanium chloride
Names & synonyms
67032-23-9BENZOIC ACID, 2-(CYCLOPENTYLAMINO)BUTYL ESTER, HYDROCHLORIDERefChem:1078966NSC 121004
Database identifiers
- CAS
67032-23-9- PubChem CID
- 49002
Properties
Computed structural properties
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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