Basic information
- CAS
67032-55-7- Standard SMILES
CCC(COC(=O)c1ccccc1)[NH2+]C1CCCCC1.[Cl-]- InChIKey
KELGXWQSYAMGFA-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO2
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.1652068
Names & identifiers
- Preferred name
- 2-(Cyclohexylamino)butyl benzoate--hydrogen chloride (1/1)
- IUPAC
- 1-benzoyloxybutan-2-yl(cyclohexyl)azanium chloride
Names & synonyms
67032-55-7DTXSID809859872-(Cyclohexylamino)butyl benzoate--hydrogen chloride (1/1)RefChem:1061533DTXCID301413176BENZOIC ACID, 2-(CYCLOHEXYLAMINO)BUTYL ESTER, HYDROCHLORIDE
Database identifiers
- CAS
67032-55-7- PubChem CID
- 49048
Properties
Computed structural properties
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 281
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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