2,5-diamino-2-methylpentanoic acid hydrochloride

• ChemBase ID: 104347
• Molecular Formular: C6H15ClN2O2
• Molecular Mass: 182.6485
• Monoisotopic Mass: 182.08220541
• SMILES: Cl.CC(N)(CCCN)C(=O)O
• Canonical SMILES: CC(C(=O)O)(CCCN)N.Cl
• InChI: InChI=1S/C6H14N2O2.ClH/c1-6(8,5(9)10)3-2-4-7;/h2-4,7-8H2,1H3,(H,9,10);1H
• InChIKey: IAXIQKQOWMZWGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,5-diamino-2-methylpentanoic acid hydrochloride
• IUPAC Traditional name: 2,5-diamino-2-methylpentanoic acid hydrochloride
• Synonyms: α-METHYLORNITHINE

Database IDs

• CAS Number: 52372-32-4
• PubChem SID: 162092475
• PubChem CID: 18519124

CALCULATED PROPERTIES

• Acid pKa: 2.702329
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -5.9844284
• LogD (pH = 7.4): -5.150607
• Log P: -3.2482939
• Molar Refractivity: 37.9218 cm^3
• Polarizability: 15.365045 Å^3
• Polar Surface Area: 89.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

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

DETAILS

MP Biomedicals - 02155615

Hydrochloride