4-amino-3,3-dimethylbutan-1-ol

• ChemBase ID: 284758
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: C(CN)(CCO)(C)C
• Canonical SMILES: OCCC(CN)(C)C
• InChI: InChI=1S/C6H15NO/c1-6(2,5-7)3-4-8/h8H,3-5,7H2,1-2H3
• InChIKey: INBMMXYCODJFAA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-amino-3,3-dimethylbutan-1-ol
• IUPAC Traditional name: 4-amino-3,3-dimethylbutan-1-ol
• Synonyms: 4-amino-3,3-dimethylbutan-1-ol

Database IDs

• MDL Number: MFCD19206192
• PubChem SID: 180670289
• PubChem CID: 55290156

CALCULATED PROPERTIES

• Acid pKa: 15.955445
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9941409
• LogD (pH = 7.4): -2.154621
• Log P: 0.004735209
• Molar Refractivity: 34.5908 cm^3
• Polarizability: 13.926987 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.266

Product Information

• Purity: 95%