(3-aminocyclohexyl)methanol

• ChemBase ID: 248169
• Molecular Formular: C7H15NO
• Molecular Mass: 129.2001
• Monoisotopic Mass: 129.11536411
• SMILES: C1C(N)CCCC1CO
• Canonical SMILES: OCC1CCCC(C1)N
• InChI: InChI=1S/C7H15NO/c8-7-3-1-2-6(4-7)5-9/h6-7,9H,1-5,8H2
• InChIKey: DFMNUVOZLQPWTG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-aminocyclohexyl)methanol
• IUPAC Traditional name: (3-aminocyclohexyl)methanol
• Synonyms: (3-aminocyclohexyl)methanol

Database IDs

• MDL Number: MFCD19207586
• PubChem SID: 164304079
• PubChem CID: 55290182

CALCULATED PROPERTIES

• Acid pKa: 15.468964
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9205132
• LogD (pH = 7.4): -2.4626577
• 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

• Hydrophobicity(logP): -0.101

Product Information

• Purity: 95%