2-(diethylamino)butan-1-ol

• ChemBase ID: 276831
• Molecular Formular: C8H19NO
• Molecular Mass: 145.24256
• Monoisotopic Mass: 145.14666423
• SMILES: N(C(CO)CC)(CC)CC
• Canonical SMILES: CCN(C(CO)CC)CC
• InChI: InChI=1S/C8H19NO/c1-4-8(7-10)9(5-2)6-3/h8,10H,4-7H2,1-3H3
• InChIKey: HZDMXYFSFGUCNO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diethylamino)butan-1-ol
• IUPAC Traditional name: 2-(diethylamino)butan-1-ol
• Synonyms: 2-(diethylamino)butan-1-ol

Database IDs

• MDL Number: MFCD19686256
• PubChem SID: 164332741
• PubChem CID: 13907470

CALCULATED PROPERTIES

• Acid pKa: 15.11335
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.3125424
• LogD (pH = 7.4): -1.4529545
• Log P: 1.1527808
• Molar Refractivity: 44.7204 cm^3
• Polarizability: 17.615318 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.499

Product Information

• Purity: 95%