5-amino-2-methylpentan-1-ol hydrochloride

• ChemBase ID: 243977
• Molecular Formular: C6H16ClNO
• Molecular Mass: 153.65034
• Monoisotopic Mass: 153.09204182
• SMILES: Cl.NCCCC(CO)C
• Canonical SMILES: NCCCC(CO)C.Cl
• InChI: InChI=1S/C6H15NO.ClH/c1-6(5-8)3-2-4-7;/h6,8H,2-5,7H2,1H3;1H
• InChIKey: XNMNZRRTTJJSOZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-2-methylpentan-1-ol hydrochloride
• IUPAC Traditional name: 5-amino-2-methylpentan-1-ol hydrochloride
• Synonyms: 5-amino-2-methylpentan-1-ol hydrochloride

Database IDs

• MDL Number: MFCD22628417
• PubChem SID: 164299887
• PubChem CID: 71757385

CALCULATED PROPERTIES

• Acid pKa: 17.418295
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9526782
• LogD (pH = 7.4): -2.5326946
• Log P: 0.071303025
• Molar Refractivity: 34.7937 cm^3
• Polarizability: 13.926987 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 99 - 101°C
• Hydrophobicity(logP): -0.136

Product Information

• Purity: 95%