Basic information
- CAS
67032-56-8- Standard SMILES
CC(C)(C[NH2+]C1CCCCC1)OC(=O)c1ccccc1.[Cl-]- InChIKey
SOSABIGBQLZZMC-UHFFFAOYSA-N- Molecular formula
- C17H26ClNO2
- Average molar mass
- 311.8 g/mol
- Monoisotopic mass
- 311.1652068
Names & identifiers
- Preferred name
- 1-(Cyclohexylamino)-2-methylpropan-2-yl benzoate--hydrogen chloride (1/1)
- IUPAC
- (2-benzoyloxy-2-methylpropyl)-cyclohexylazanium chloride
Names & synonyms
67032-56-8DTXSID409859881-(Cyclohexylamino)-2-methylpropan-2-yl benzoate--hydrogen chloride (1/1)RefChem:1054626DTXCID001413177BENZOIC ACID, (2-CYCLOHEXYLAMINO-1,1-DIMETHYL)ETHYL ESTER, HYDROCHLORIDENSC 121032
Database identifiers
- CAS
67032-56-8- PubChem CID
- 49050
Properties
Computed structural properties
- Topological polar surface area
- 42.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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