2-amino-3-methylpentan-1-ol hydrochloride

• ChemBase ID: 278492
• Molecular Formular: C6H16ClNO
• Molecular Mass: 153.65034
• Monoisotopic Mass: 153.09204182
• SMILES: C(N)(C(CC)C)CO.Cl
• Canonical SMILES: CCC(C(CO)N)C.Cl
• InChI: InChI=1S/C6H15NO.ClH/c1-3-5(2)6(7)4-8;/h5-6,8H,3-4,7H2,1-2H3;1H
• InChIKey: RAEHCGJWYOKYTE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-methylpentan-1-ol hydrochloride
• IUPAC Traditional name: 2-amino-3-methylpentan-1-ol hydrochloride
• Synonyms: 2-amino-3-methylpentan-1-ol hydrochloride

Database IDs

• MDL Number: MFCD19982580
• PubChem SID: 164334402
• PubChem CID: 53536961

CALCULATED PROPERTIES

• Acid pKa: 15.119383
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.581455
• LogD (pH = 7.4): -1.9505256
• Log P: 0.43307802
• Molar Refractivity: 34.2265 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

• Melting Point: 109 - 111°C
• Hydrophobicity(logP): 0.471

Product Information

• Purity: 95%