2-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanol
Basic information
- CAS
478011-87-9- Standard SMILES
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NCCO)C2- InChIKey
LGVCMTQQXDFHTG-FOGDFJRCSA-N- Molecular formula
- C12H23NO
- Average molar mass
- 197.32 g/mol
Names & identifiers
- Preferred name
- 2-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanol
- IUPAC
- 2-[[(1R,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]amino]ethanol
- English name
- Ethanol, 2-[[(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]amino]- (9CI)
- Molecular formula
- C12H23NO
- Molecular weight
- 197.32
Names & synonyms
478011-87-9DB-286824ETHANOL, 2-[[(1R,2R,4R)-1,7,7-TRIMETHYLBICYCLO[2.2.1]HEPT-2-YL]AMINO]-Ethanol, 2-[[(1R,2R,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl]amino]- (9CI)
Database identifiers
- CAS
478011-87-9- Nikkaji
- J1.817.488J
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- Boiling point
- 296.6 · 296.6±13.0 °C(Predicted)
- Density
- 1 · 1.00±0.1 g/cm3(Predicted)
- pka
- 14.78 · 14.78±0.10(Predicted)
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Compound notes
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