2-(aminomethyl)-2-methylbutan-1-ol

• ChemBase ID: 241853
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: C(CN)(CO)(CC)C
• Canonical SMILES: CCC(CO)(CN)C
• InChI: InChI=1S/C6H15NO/c1-3-6(2,4-7)5-8/h8H,3-5,7H2,1-2H3
• InChIKey: RYZLYDKGAAOFHY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(aminomethyl)-2-methylbutan-1-ol
• IUPAC Traditional name: 2-(aminomethyl)-2-methylbutan-1-ol
• Synonyms: 2-(aminomethyl)-2-methylbutan-1-ol

Database IDs

• MDL Number: MFCD19206193
• PubChem SID: 164297763
• PubChem CID: 20461810

CALCULATED PROPERTIES

• Acid pKa: 15.081127
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.832213
• LogD (pH = 7.4): -1.9348631
• Log P: 0.16064267
• Molar Refractivity: 34.4368 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): 0.37

Product Information

• Purity: 95%