1-amino-4-methylpentan-3-ol

• ChemBase ID: 278715
• Molecular Formular: C6H15NO
• Molecular Mass: 117.1894
• Monoisotopic Mass: 117.11536411
• SMILES: C(C(C)C)(CCN)O
• Canonical SMILES: NCCC(C(C)C)O
• InChI: InChI=1S/C6H15NO/c1-5(2)6(8)3-4-7/h5-6,8H,3-4,7H2,1-2H3
• InChIKey: ZTKFDYZSGCIKNI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-amino-4-methylpentan-3-ol
• IUPAC Traditional name: 1-amino-4-methylpentan-3-ol
• Synonyms: 1-amino-4-methylpentan-3-ol

Database IDs

• MDL Number: MFCD16300694
• PubChem SID: 164334625
• PubChem CID: 54594969

CALCULATED PROPERTIES

• Acid pKa: 14.928134
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9632282
• LogD (pH = 7.4): -2.2855725
• Log P: 0.048469108
• Molar Refractivity: 34.4909 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): 0.28

Product Information

• Purity: 95%