3-amino-3-methylbutan-1-ol

• ChemBase ID: 283005
• Molecular Formular: C5H13NO
• Molecular Mass: 103.16282
• Monoisotopic Mass: 103.09971404
• SMILES: C(N)(CCO)(C)C
• Canonical SMILES: OCCC(N)(C)C
• InChI: InChI=1S/C5H13NO/c1-5(2,6)3-4-7/h7H,3-4,6H2,1-2H3
• InChIKey: PHRHXTTZZWUGNN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-3-methylbutan-1-ol
• IUPAC Traditional name: 3-amino-3-methylbutan-1-ol
• Synonyms: 3-amino-3-methylbutan-1-ol

Database IDs

• MDL Number: MFCD09032902
• PubChem SID: 180668536
• PubChem CID: 641000

CALCULATED PROPERTIES

• Acid pKa: 15.916623
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.5841904
• LogD (pH = 7.4): -3.2188442
• Log P: -0.55844945
• Molar Refractivity: 30.1335 cm^3
• Polarizability: 12.084012 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.249

Product Information

• Purity: 95%