Cyclopropanecarboxylic acid, 2-((butylmethylamino)methyl)-1-phenyl-, ethyl ester, monohydrochloride, cis-
Basic information
- CAS
85467-56-7- Standard SMILES
CCCC[NH+](C)C[C@H]1C[C@]1(C(=O)OCC)c1ccccc1.[Cl-]- InChIKey
GRCHBMOCWOXXEW-CLRXKPRGSA-N- Molecular formula
- C18H28ClNO2
- Average molar mass
- 325.9 g/mol
- Monoisotopic mass
- 325.1808568
Names & identifiers
- Preferred name
- Cyclopropanecarboxylic acid, 2-((butylmethylamino)methyl)-1-phenyl-, ethyl ester, monohydrochloride, cis-
- IUPAC
- butyl-[[(1S,2R)-2-ethoxycarbonyl-2-phenylcyclopropyl]methyl]-methylazanium chloride
Names & synonyms
85467-56-7Cyclopropanecarboxylic acid, 2-((butylmethylamino)methyl)-1-phenyl-, ethyl ester, monohydrochloride, cis-(Z)-2-((Butylmethylamino)methyl)-1-phenylcyclopropanecarboxylic acid ethyl ester HClRefChem:336254
Database identifiers
- CAS
85467-56-7- PubChem CID
- 55345
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 9
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 338
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Compound notes
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