6-(dimethylamino)hexan-2-ol

• ChemBase ID: 248790
• Molecular Formular: C8H19NO
• Molecular Mass: 145.24256
• Monoisotopic Mass: 145.14666423
• SMILES: N(CCCCC(O)C)(C)C
• Canonical SMILES: CC(CCCCN(C)C)O
• InChI: InChI=1S/C8H19NO/c1-8(10)6-4-5-7-9(2)3/h8,10H,4-7H2,1-3H3
• InChIKey: PHLDMHNERXSHJK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(dimethylamino)hexan-2-ol
• IUPAC Traditional name: 6-(dimethylamino)hexan-2-ol
• Synonyms: 6-(dimethylamino)hexan-2-ol

Database IDs

• MDL Number: MFCD16146404
• PubChem SID: 164304700
• PubChem CID: 18008334

CALCULATED PROPERTIES

• Acid pKa: 17.683033
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.497447
• LogD (pH = 7.4): -1.4210849
• Log P: 0.93853354
• Molar Refractivity: 44.8102 cm^3
• Polarizability: 17.615318 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.456

Product Information

• Purity: 95%