[4-(methylamino)cyclohexyl]methanol

• ChemBase ID: 237910
• Molecular Formular: C8H17NO
• Molecular Mass: 143.22668
• Monoisotopic Mass: 143.13101417
• SMILES: N(C1CCC(CC1)CO)C
• Canonical SMILES: OCC1CCC(CC1)NC
• InChI: InChI=1S/C8H17NO/c1-9-8-4-2-7(6-10)3-5-8/h7-10H,2-6H2,1H3
• InChIKey: KSQLUMZKNADAFH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(methylamino)cyclohexyl]methanol
• IUPAC Traditional name: [4-(methylamino)cyclohexyl]methanol
• Synonyms: [4-(methylamino)cyclohexyl]methanol

Database IDs

• MDL Number: MFCD11520458
• PubChem SID: 164293820
• PubChem CID: 20760612

CALCULATED PROPERTIES

• Acid pKa: 17.642998
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.70259
• LogD (pH = 7.4): -2.4349735
• Log P: 0.53468627
• Molar Refractivity: 42.1079 cm^3
• Polarizability: 16.88203 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.045

Product Information

• Purity: 95%