(1-aminocyclohexyl)methanol hydrochloride

• ChemBase ID: 258222
• Molecular Formular: C7H16ClNO
• Molecular Mass: 165.66104
• Monoisotopic Mass: 165.09204182
• SMILES: C1(N)(CO)CCCCC1.Cl
• Canonical SMILES: OCC1(N)CCCCC1.Cl
• InChI: InChI=1S/C7H15NO.ClH/c8-7(6-9)4-2-1-3-5-7;/h9H,1-6,8H2;1H
• InChIKey: NEPOOMVFQWOTOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1-aminocyclohexyl)methanol hydrochloride
• IUPAC Traditional name: (1-aminocyclohexyl)methanol hydrochloride
• Synonyms: (1-aminocyclohexyl)methanol hydrochloride

Database IDs

• MDL Number: MFCD11505635
• PubChem SID: 164314132
• PubChem CID: 20211929

CALCULATED PROPERTIES

• Acid pKa: 14.784953
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.6148052
• LogD (pH = 7.4): -2.1481245
• Log P: 0.40747836
• Molar Refractivity: 37.1149 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: 158 - 160°C
• Hydrophobicity(logP): 0.726

Product Information

• Purity: 95%