2-[(dimethylamino)methyl]cyclohexan-1-ol

• ChemBase ID: 266317
• Molecular Formular: C9H19NO
• Molecular Mass: 157.25326
• Monoisotopic Mass: 157.14666423
• SMILES: C1(CN(C)C)C(O)CCCC1
• Canonical SMILES: CN(CC1CCCCC1O)C
• InChI: InChI=1S/C9H19NO/c1-10(2)7-8-5-3-4-6-9(8)11/h8-9,11H,3-7H2,1-2H3
• InChIKey: LBKGSNPSDIYPBE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(dimethylamino)methyl]cyclohexan-1-ol
• IUPAC Traditional name: 2-[(dimethylamino)methyl]cyclohexan-1-ol
• Synonyms: 2-[(dimethylamino)methyl]cyclohexan-1-ol

Database IDs

• MDL Number: MFCD01037909
• PubChem SID: 164322227
• PubChem CID: 368214

CALCULATED PROPERTIES

• Acid pKa: 14.911143
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.400005
• LogD (pH = 7.4): -1.0444224
• Log P: 0.9592909
• Molar Refractivity: 47.3038 cm^3
• Polarizability: 18.725828 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.383

Product Information

• Purity: 95%