4-(dimethylamino)butan-2-ol

• ChemBase ID: 249204
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: C(CN(C)C)C(O)C
• Canonical SMILES: CN(CCC(O)C)C
• InChI: InChI=1S/C6H15NO/c1-6(8)4-5-7(2)3/h6,8H,4-5H2,1-3H3
• InChIKey: IXAXPXLEJPTDGO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(dimethylamino)butan-2-ol
• IUPAC Traditional name: 4-(dimethylamino)butan-2-ol
• Synonyms: 4-(dimethylamino)butan-2-ol

Database IDs

• MDL Number: MFCD13249644
• PubChem SID: 164305114
• PubChem CID: 10855427

CALCULATED PROPERTIES

• Acid pKa: 15.622978
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2864065
• LogD (pH = 7.4): -1.7609063
• Log P: -0.023397783
• Molar Refractivity: 35.5646 cm^3
• Polarizability: 13.926987 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.2

Product Information

• Purity: 95%