2-(dipropylamino)ethan-1-ol

• ChemBase ID: 248549
• Molecular Formular: C8H19NO
• Molecular Mass: 145.24256
• Monoisotopic Mass: 145.14666423
• SMILES: N(CCO)(CCC)CCC
• Canonical SMILES: CCCN(CCO)CCC
• InChI: InChI=1S/C8H19NO/c1-3-5-9(6-4-2)7-8-10/h10H,3-8H2,1-2H3
• InChIKey: SWKPGMVENNYLFK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(dipropylamino)ethan-1-ol
• IUPAC Traditional name: 2-dipropylamino-ethanol
• Synonyms: 2-(dipropylamino)ethan-1-ol

Database IDs

• MDL Number: MFCD00020589
• PubChem SID: 164304459
• PubChem CID: 76721

CALCULATED PROPERTIES

• Acid pKa: 15.593297
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.202666
• LogD (pH = 7.4): -1.305895
• Log P: 1.2587281
• Molar Refractivity: 44.8256 cm^3
• Polarizability: 17.615318 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.719

Product Information

• Purity: 95%