6-(dimethylamino)hexan-1-ol

• ChemBase ID: 110450
• Molecular Formular: C8H19NO
• Molecular Mass: 145.24256
• Monoisotopic Mass: 145.14666423
• SMILES: CN(C)CCCCCCO
• Canonical SMILES: OCCCCCCN(C)C
• InChI: InChI=1S/C8H19NO/c1-9(2)7-5-3-4-6-8-10/h10H,3-8H2,1-2H3
• InChIKey: QCXNXRUTKSIZND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-(dimethylamino)hexan-1-ol
• IUPAC Traditional name: 6-(dimethylamino)hexan-1-ol
• Synonyms: 6-DIMETHYL AMINO HEXANOL-1

Database IDs

• CAS Number: 1862-07-3
• EC Number: 404-680-3
• PubChem SID: 162095808
• PubChem CID: 74623

CALCULATED PROPERTIES

• Acid pKa: 16.843943
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.4694622
• LogD (pH = 7.4): -1.3931501
• Log P: 0.96652716
• Molar Refractivity: 44.9924 cm^3
• Polarizability: 17.615318 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C)
• Risk Statements: R:22-34-52/53
• Safety Statements: S:26-45-61-36/37/39

DETAILS

MP Biomedicals - 05215068

MP Biomedicals Rare Chemical collection