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

• ChemBase ID: 275094
• Molecular Formular: C7H17NO
• Molecular Mass: 131.21598
• Monoisotopic Mass: 131.13101417
• SMILES: C(N)(CC(C)C)(CO)C
• Canonical SMILES: OCC(CC(C)C)(N)C
• InChI: InChI=1S/C7H17NO/c1-6(2)4-7(3,8)5-9/h6,9H,4-5,8H2,1-3H3
• InChIKey: YEMAIZYKPDFKNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD12827145
• PubChem SID: 164331004
• PubChem CID: 22096701

CALCULATED PROPERTIES

• Acid pKa: 14.793103
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.3850636
• LogD (pH = 7.4): -1.8806279
• Log P: 0.635701
• Molar Refractivity: 38.9417 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%