2-aminocyclohexan-1-ol

• ChemBase ID: 78853
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: NC1C(O)CCCC1
• Canonical SMILES: NC1CCCCC1O
• InChI: InChI=1S/C6H13NO/c7-5-3-1-2-4-6(5)8/h5-6,8H,1-4,7H2
• InChIKey: PQMCFTMVQORYJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminocyclohexan-1-ol
• IUPAC Traditional name: 2-aminocyclohexan-1-ol
• Synonyms: 2-aminocyclohexan-1-ol; 1-Amino-2-hydroxycyclohexane; 2-Aminocyclohexan-1-ol 98%

Database IDs

• CAS Number: 6850-38-0
• MDL Number: MFCD00191368
• PubChem SID: 162043616
• PubChem CID: 23286

CALCULATED PROPERTIES

• Acid pKa: 14.611771
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9152315
• LogD (pH = 7.4): -2.2774904
• Log P: 0.09890806
• Molar Refractivity: 32.2945 cm^3
• Polarizability: 13.196873 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 162 - 164°C
• Hydrophobicity(logP): 0.107

Safety Information

• Storage Warning: Corrosive/Hygroscopic/Store under Argon

Product Information

• Purity: 95%