(1R,2R)-2-(ethylamino)cyclohexan-1-ol

• ChemBase ID: 308191
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: [C@@H]1([C@H](O)CCCC1)NCC
• Canonical SMILES: CCN[C@@H]1CCCC[C@H]1O
• InChI: InChI=1S/C8H17NO/c1-2-9-7-5-3-4-6-8(7)10/h7-10H,2-6H2,1H3/t7-,8-/m1/s1
• InChIKey: NIMUFNCQZMSSAG-HTQZYQBOSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R,2R)-2-(ethylamino)cyclohexan-1-ol
• IUPAC Traditional name: (1R,2R)-2-(ethylamino)cyclohexan-1-ol
• Synonyms: trans-2-(ethylamino)cyclohexanol

Database IDs

• CAS Number: 218915-49-2
• MDL Number: MFCD14155662

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.338399
• LogD (pH = 7.4): -1.7684195
• Log P: 0.8882964
• Molar Refractivity: 41.8177 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 32.26 Å^2