6-aminohexan-3-ol hydrochloride

• ChemBase ID: 279022
• Molecular Formular: C6H16ClNO
• Molecular Mass: 153.65034
• Monoisotopic Mass: 153.09204182
• SMILES: Cl.NCCCC(O)CC
• Canonical SMILES: NCCCC(CC)O.Cl
• InChI: InChI=1S/C6H15NO.ClH/c1-2-6(8)4-3-5-7;/h6,8H,2-5,7H2,1H3;1H
• InChIKey: SOPUDNYUOAJWJA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-aminohexan-3-ol hydrochloride
• IUPAC Traditional name: 6-aminohexan-3-ol hydrochloride
• Synonyms: 6-aminohexan-3-ol hydrochloride

Database IDs

• MDL Number: MFCD20233580
• PubChem SID: 164334932
• PubChem CID: 54595100

CALCULATED PROPERTIES

• Acid pKa: 15.268956
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.8141143
• LogD (pH = 7.4): -2.1909473
• Log P: 0.20085895
• Molar Refractivity: 34.6639 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

• Hydrophobicity(logP): -0.226

Product Information

• Purity: 95%