5-(diethylamino)pent-3-yn-2-ol

• ChemBase ID: 240264
• Molecular Formular: C9H17NO
• Molecular Mass: 155.23738
• Monoisotopic Mass: 155.13101417
• SMILES: C(#CC(O)C)CN(CC)CC
• Canonical SMILES: CCN(CC#CC(O)C)CC
• InChI: InChI=1S/C9H17NO/c1-4-10(5-2)8-6-7-9(3)11/h9,11H,4-5,8H2,1-3H3
• InChIKey: ZBCYIXSZVFKXMB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(diethylamino)pent-3-yn-2-ol
• IUPAC Traditional name: 5-(diethylamino)pent-3-yn-2-ol
• Synonyms: 5-(diethylamino)pent-3-yn-2-ol

Database IDs

• MDL Number: MFCD01763223
• PubChem SID: 164296174
• PubChem CID: 114413

CALCULATED PROPERTIES

• Acid pKa: 14.046477
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.7459815
• LogD (pH = 7.4): 0.010172986
• Log P: 1.1041024
• Molar Refractivity: 48.7598 cm^3
• Polarizability: 18.358032 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.427

Product Information

• Purity: 95%