Basic information
- CAS
21461-63-2- Standard SMILES
CN(CCOC(=O)C(c1ccccc1)c1ccccc1)C1CCCCC1- InChIKey
MAQJVEYKBVRPRR-UHFFFAOYSA-N- Molecular formula
- C23H29NO2
- Average molar mass
- 351.5 g/mol
- Monoisotopic mass
- 351.21982917
Names & identifiers
- Preferred name
- Acetic acid, diphenyl-, 2-(cyclohexylmethylamino)ethyl ester
- IUPAC
- 2-[cyclohexyl(methyl)amino]ethyl 2,2-diphenylacetate
- English name
- Diphenylacetic acid 2-(cyclohexylmethylamino)ethyl ester
- Molecular formula
- C23H29NO2
- Molecular weight
- 351.48
Names & synonyms
ACETIC ACID, DIPHENYL-, 2-(CYCLOHEXYLMETHYLAMINO)ETHYL ESTERBRN 2158065Diphenylacetic acid 2-(cyclohexylmethylamino)ethyl ester21461-63-2DTXSID60175743N-Methyl-N-(beta-diphenylacetylhydroxyethyl)-cyclohexylamineRefChem:316616DTXCID30982342-[cyclohexyl(methyl)amino]ethyl diphenylacetateAcetic acid, diphenyl-, 2-(cyclohexylmethylamino)ethyl ester (8CI)
Database identifiers
- CAS
21461-63-2- PubChem CID
- 30641
- DTXSID
DTXSID60175743
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 388
Physicochemical properties
- Boiling point
- 192 · 192-194 °C(Press: 0.2 Torr)
- Density
- 1.09 · 1.09±0.1 g/cm3(Predicted)
- pka
- 8.38 · 8.38±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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