(2S)-2-amino-4-methylpentan-1-ol hydrochloride

• ChemBase ID: 102860
• Molecular Formular: C6H16ClNO
• Molecular Mass: 153.65034
• Monoisotopic Mass: 153.09204182
• SMILES: CC(C)C[C@H](N)CO.Cl
• Canonical SMILES: OC[C@H](CC(C)C)N.Cl
• InChI: InChI=1S/C6H15NO.ClH/c1-5(2)3-6(7)4-8;/h5-6,8H,3-4,7H2,1-2H3;1H/t6-;/m0./s1
• InChIKey: ZVHVRRKOBBNFDU-RGMNGODLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-4-methylpentan-1-ol hydrochloride
• IUPAC Traditional name: (2S)-2-amino-4-methylpentan-1-ol hydrochloride
• Synonyms: L-LEUCINOL HYDROCHLORIDE

Database IDs

• CAS Number: 17016-87-4
• PubChem SID: 162089283
• PubChem CID: 12305004

CALCULATED PROPERTIES

• Acid pKa: 15.12735
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.6564274
• LogD (pH = 7.4): -1.9765102
• Log P: 0.3551243
• Molar Refractivity: 34.3035 cm^3
• Polarizability: 13.926987 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: Room Temperature (15-30°C)

DETAILS

MP Biomedicals - 02104768

Hydrochloride