Basic information
- CAS
26961-96-6- Standard SMILES
CN(C)CCO.O=C(O)C1(c2ccc(C3CCCCC3)c(Cl)c2)CC1- InChIKey
KUEDTQBRULCBNY-UHFFFAOYSA-N- Molecular formula
- C20H30ClNO3
- Average molar mass
- 367.9 g/mol
- Monoisotopic mass
- 367.1914215
Names & identifiers
- Preferred name
- Cyclopropanecarboxylic acid, 1-(3-chloro-4-cyclohexylphenyl)-, compd. with 2-(dimethylamino)ethanol (1:1)
- IUPAC
- 1-(3-chloro-4-cyclohexylphenyl)cyclopropane-1-carboxylic acid;2-(dimethylamino)ethanol
Names & synonyms
TAI 35426961-96-6DTXSID50181454RefChem:336226DTXCID601039451-(3-chloro-4-cyclohexylphenyl)cyclopropane-1-carboxylic acid;2-(dimethylamino)ethanol1-(3-Chloro-4-cyclohexylphenyl)cyclopropane-1-carboxylic acid--2-(dimethylamino)ethan-1-ol (1/1)
Database identifiers
- CAS
26961-96-6- PubChem CID
- 33655
- DTXSID
DTXSID50181454
Properties
Computed structural properties
- Topological polar surface area
- 60.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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