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

• ChemBase ID: 284976
• Molecular Formular: C7H17NO
• Molecular Mass: 131.21598
• Monoisotopic Mass: 131.13101417
• SMILES: C(N)(CC(CO)C)(C)C
• Canonical SMILES: OCC(CC(N)(C)C)C
• InChI: InChI=1S/C7H17NO/c1-6(5-9)4-7(2,3)8/h6,9H,4-5,8H2,1-3H3
• InChIKey: AAZVXDOYKPIBRI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD20731184
• PubChem SID: 180670507
• PubChem CID: 56828067

CALCULATED PROPERTIES

• Acid pKa: 15.477237
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.7027576
• LogD (pH = 7.4): -2.368471
• Log P: 0.32388607
• Molar Refractivity: 39.2497 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

• Melting Point: 64 - 66°C
• Hydrophobicity(logP): 0.043

Product Information

• Purity: 95%