(2S)-2-amino-5-carbamimidamidopentanoic acid hydrochloride

• ChemBase ID: 796566
• Molecular Formular: C6H15ClN4O2
• Molecular Mass: 210.6619
• Monoisotopic Mass: 210.08835342
• SMILES: Cl.N[C@@H](CCCNC(=N)N)C(=O)O
• Canonical SMILES: NC(=N)NCCC[C@@H](C(=O)O)N.Cl
• InChI: InChI=1S/C6H14N4O2.ClH/c7-4(5(11)12)2-1-3-10-6(8)9;/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H/t4-;/m0./s1
• InChIKey: KWTQSFXGGICVPE-WCCKRBBISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-5-carbamimidamidopentanoic acid hydrochloride
• IUPAC Traditional name: L-arginine hydrochloride
• Synonyms: L-Arginine hydrochloride

Database IDs

• CAS Number: 1119-34-2

CALCULATED PROPERTIES

• Acid pKa: 2.4118378
• H Acceptors: 6
• H Donor: 5
• LogD (pH = 5.5): -6.0672293
• LogD (pH = 7.4): -4.8457246
• Log P: -3.1559374
• Molar Refractivity: 53.9231 cm^3
• Polarizability: 16.904032 Å^3
• Polar Surface Area: 125.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%