(4-aminocyclohexyl)methanol

• ChemBase ID: 260818
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: NC1CCC(CC1)CO
• Canonical SMILES: OCC1CCC(CC1)N
• InChI: InChI=1S/C7H15NO/c8-7-3-1-6(5-9)2-4-7/h6-7,9H,1-5,8H2
• InChIKey: GHUJZOFJZVGTSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-aminocyclohexyl)methanol
• IUPAC Traditional name: (4-aminocyclohexyl)methanol
• Synonyms: (4-aminocyclohexyl)methanol

Database IDs

• CAS Number: 1504-49-0
• MDL Number: MFCD09036521
• PubChem SID: 164316728
• PubChem CID: 424390

CALCULATED PROPERTIES

• Acid pKa: 17.642998
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9258382
• LogD (pH = 7.4): -2.6407533
• Log P: 0.10210588
• Molar Refractivity: 37.3333 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

• Melting Point: 139 - 141°C
• Hydrophobicity(logP): -0.101

Product Information

• Purity: 95%