Basic information
- CAS
85467-58-9- Standard SMILES
COC(=O)[C@]1(c2ccccc2)C[C@@H]1C[NH+](C)C.[Cl-]- InChIKey
OKXPSPGUYPUREQ-OJMBIDBESA-N- Molecular formula
- C14H20ClNO2
- Average molar mass
- 269.77 g/mol
- Monoisotopic mass
- 269.1182566
Names & identifiers
- Preferred name
- Cyclopropanecarboxylic acid, 2-((dimethylamino)methyl)-1-phenyl-, methyl ester, (Z)-, monohydrochloride
- IUPAC
- [(1S,2R)-2-methoxycarbonyl-2-phenylcyclopropyl]methyl-dimethylazanium chloride
Names & synonyms
85467-58-9(Z)-2-((Dimethylamino)methyl)-1-phenylcyclopropanecarboxylic acid methyl ester hydrochlorideCyclopropanecarboxylic acid, 2-((dimethylamino)methyl)-1-phenyl-, methyl ester, (Z)-, monohydrochlorideRefChem:336259
Database identifiers
- CAS
85467-58-9- PubChem CID
- 55347
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 284
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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