[(1R,2R)-2-aminocyclohexyl]methanol

• ChemBase ID: 277095
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: [C@@H]1([C@H](N)CCCC1)CO
• Canonical SMILES: OC[C@@H]1CCCC[C@H]1N
• InChI: InChI=1S/C7H15NO/c8-7-4-2-1-3-6(7)5-9/h6-7,9H,1-5,8H2/t6-,7+/m0/s1
• InChIKey: GCWPGEWXYDEQAY-NKWVEPMBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(1R,2R)-2-aminocyclohexyl]methanol
• IUPAC Traditional name: [(1R,2R)-2-aminocyclohexyl]methanol
• Synonyms: [trans-2-aminocyclohexyl]methanol

Database IDs

• MDL Number: MFCD09260357
• PubChem SID: 164333005
• PubChem CID: 2724655

CALCULATED PROPERTIES

• Acid pKa: 15.42337
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.8784895
• LogD (pH = 7.4): -2.4083989
• Log P: 0.1436626
• Molar Refractivity: 37.2345 cm^3
• Polarizability: 15.038956 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.535

Product Information

• Purity: 95%