2-amino-2-cyclohexylpropan-1-ol

• ChemBase ID: 277759
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: C(C1CCCCC1)(N)(CO)C
• Canonical SMILES: OCC(C1CCCCC1)(N)C
• InChI: InChI=1S/C9H19NO/c1-9(10,7-11)8-5-3-2-4-6-8/h8,11H,2-7,10H2,1H3
• InChIKey: QUERJNUDNIGFHV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-cyclohexylpropan-1-ol
• IUPAC Traditional name: 2-amino-2-cyclohexylpropan-1-ol
• Synonyms: 2-amino-2-cyclohexylpropan-1-ol

Database IDs

• MDL Number: MFCD18699208
• PubChem SID: 164333669
• PubChem CID: 53621908

CALCULATED PROPERTIES

• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 14.78494
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8832217
• LogD (pH = 7.4): -1.4166523
• Log P: 1.1390661
• Molar Refractivity: 46.2645 cm^3
• Polarizability: 18.725828 Å^3
• Polar Surface Area: 46.25 Å^2

PROPERTIES

Physical Property

• Melting Point: 80 - 82°C
• Hydrophobicity(logP): 1.534

Product Information

• Purity: 95%