Basic information
- CAS
17397-44-3- Standard SMILES
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N[C@H](C)c1ccccc1- InChIKey
FNGQUIHMXNCTMN-XYVMCAHJSA-N- Molecular formula
- C19H29NO2
- Average molar mass
- 303.4 g/mol
- Monoisotopic mass
- 303.21982917
Names & identifiers
- Preferred name
- 2-Isopropyl-5-methylcyclohexyl 1-phenylethylcarbamate
- IUPAC
- [(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R)-1-phenylethyl]carbamate
- English name
- 2-isopropyl-5-methylcyclohexyl 1-phenylethylcarbamate
- Molecular formula
- C19H29NO2
- Molecular weight
- 303.44
Names & synonyms
2-Isopropyl-5-methylcyclohexyl 1-phenylethylcarbamateCHEMBL4932417[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl] N-[(1R)-1-phenylethyl]carbamateAG-777/36179057
Database identifiers
- CAS
17397-44-3- PubChem CID
- 7203552
- ChEMBL
CHEMBL4932417- Nikkaji
- J2.779.252I
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Boiling point
- 418.035 · 418.035±15.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.018 · 1.018±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.835 · 11.835±0.46(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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