2-aminopentan-3-ol hydrochloride

• ChemBase ID: 272012
• Molecular Formular: C5H14ClNO
• Molecular Mass: 139.62376
• Monoisotopic Mass: 139.07639175
• SMILES: C(C(O)CC)(N)C.Cl
• Canonical SMILES: CCC(C(N)C)O.Cl
• InChI: InChI=1S/C5H13NO.ClH/c1-3-5(7)4(2)6;/h4-5,7H,3,6H2,1-2H3;1H
• InChIKey: GVYLZPGAVBXTTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-aminopentan-3-ol hydrochloride
• IUPAC Traditional name: 2-aminopentan-3-ol hydrochloride
• Synonyms: 2-aminopentan-3-ol hydrochloride

Database IDs

• MDL Number: MFCD15142698
• PubChem SID: 164327922
• PubChem CID: 18955179

CALCULATED PROPERTIES

• Acid pKa: 14.629697
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.9717867
• LogD (pH = 7.4): -2.2972717
• Log P: 0.040111568
• Molar Refractivity: 29.5727 cm^3
• Polarizability: 12.084012 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 75 - 77°C
• Hydrophobicity(logP): -0.148

Product Information

• Purity: 95%