2-amino-4,4-dimethylpentan-1-ol

• ChemBase ID: 241502
• Molecular Formular: C7H17NO
• Molecular Mass: 131.21598
• Monoisotopic Mass: 131.13101417
• SMILES: C(CC(N)CO)(C)(C)C
• Canonical SMILES: OCC(CC(C)(C)C)N
• InChI: InChI=1S/C7H17NO/c1-7(2,3)4-6(8)5-9/h6,9H,4-5,8H2,1-3H3
• InChIKey: OCJXWXGVDQCFJW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-4,4-dimethylpentan-1-ol
• IUPAC Traditional name: 2-amino-4,4-dimethylpentan-1-ol
• Synonyms: 2-amino-4,4-dimethylpentan-1-ol

Database IDs

• MDL Number: MFCD17254928
• PubChem SID: 164297412
• PubChem CID: 22102263

CALCULATED PROPERTIES

• Acid pKa: 15.126866
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.3559945
• LogD (pH = 7.4): -1.6701512
• Log P: 0.6551714
• Molar Refractivity: 38.7786 cm^3
• Polarizability: 15.770842 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.87

Product Information

• Purity: 95%