5-(diethylamino)pentan-1-ol

• ChemBase ID: 10693
• Molecular Formular: C9H21NO
• Molecular Mass: 159.26914
• Monoisotopic Mass: 159.1623143
• SMILES: C(N(CC)CCCCCO)C
• Canonical SMILES: OCCCCCN(CC)CC
• InChI: InChI=1S/C9H21NO/c1-3-10(4-2)8-6-5-7-9-11/h11H,3-9H2,1-2H3
• InChIKey: RUQDFMATAGUGMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(diethylamino)pentan-1-ol
• IUPAC Traditional name: 5-(diethylamino)pentan-1-ol
• Synonyms: 5-(Diethylamino)pentyl alcohol

Database IDs

• CAS Number: 2683-57-0
• MDL Number: MFCD00046024
• PubChem SID: 160974000
• PubChem CID: 520284

CALCULATED PROPERTIES

• Acid pKa: 16.843914
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.245746
• LogD (pH = 7.4): -1.5888358
• Log P: 1.2355745
• Molar Refractivity: 49.8886 cm^3
• Polarizability: 19.46025 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: CORROSIVE
• TSCA Listed: false

Product Information

• Purity: 97%