5-(dimethylamino)pentan-1-ol

• ChemBase ID: 284137
• Molecular Formular: C7H17NO
• Molecular Mass: 131.21598
• Monoisotopic Mass: 131.13101417
• SMILES: N(CCCCCO)(C)C
• Canonical SMILES: OCCCCCN(C)C
• InChI: InChI=1S/C7H17NO/c1-8(2)6-4-3-5-7-9/h9H,3-7H2,1-2H3
• InChIKey: HFLIHGJYVCGOEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(dimethylamino)pentan-1-ol
• IUPAC Traditional name: 5-(dimethylamino)pentan-1-ol
• Synonyms: 5-(dimethylamino)pentan-1-ol

Database IDs

• MDL Number: MFCD00020628
• PubChem SID: 180669668
• PubChem CID: 295978

CALCULATED PROPERTIES

• Acid pKa: 16.843914
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.914023
• LogD (pH = 7.4): -1.8376666
• Log P: 0.52195853
• Molar Refractivity: 40.3914 cm^3
• Polarizability: 15.770842 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.147

Product Information

• Purity: 95%