Basic information
- CAS
53716-47-5- Standard SMILES
COC(=O)C1(C(C)CN(C)C)CCCCC1c1ccccc1.Cl- InChIKey
UCPLBINOMYVRHO-UHFFFAOYSA-N- Molecular formula
- C19H30ClNO2
- Average molar mass
- 339.9 g/mol
- Monoisotopic mass
- 339.1965069
Names & identifiers
- Preferred name
- Methyl 1-[1-(dimethylamino)propan-2-yl]-2-phenylcyclohexane-1-carboxylate--hydrogen chloride (1/1)
- IUPAC
- methyl 1-[1-(dimethylamino)propan-2-yl]-2-phenylcyclohexane-1-carboxylate;hydrochloride
Names & synonyms
Methyl 1-[1-(dimethylamino)propan-2-yl]-2-phenylcyclohexane-1-carboxylate--hydrogen chloride (1/1)SCHEMBL120975DTXSID20968476D05154
Database identifiers
- CAS
53716-47-5- PubChem CID
- 40852
- DTXSID
DTXSID20968476
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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