(2S)-2-amino-5-(3-aminocarbamimidamido)pentanoic acid hydrochloride

• ChemBase ID: 300255
• Molecular Formular: C6H16ClN5O2
• Molecular Mass: 225.67654
• Monoisotopic Mass: 225.09925246
• SMILES: C(C[C@@H](C(=O)O)N)CNC(=N)NN.Cl
• Canonical SMILES: NNC(=N)NCCC[C@@H](C(=O)O)N.Cl
• InChI: InChI=1S/C6H15N5O2.ClH/c7-4(5(12)13)2-1-3-10-6(8)11-9;/h4H,1-3,7,9H2,(H,12,13)(H3,8,10,11);1H/t4-;/m0./s1
• InChIKey: YGVMJVSXFJRHGQ-WCCKRBBISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-5-(3-aminocarbamimidamido)pentanoic acid hydrochloride
• IUPAC Traditional name: (2S)-2-amino-5-(3-aminocarbamimidamido)pentanoic acid hydrochloride
• Synonyms: L-NAA; Nomega-Amino-L-arginine hydrochloride

Database IDs

• MDL Number: MFCD00672614

CALCULATED PROPERTIES

• Acid pKa: 2.399456
• H Acceptors: 7
• H Donor: 6
• LogD (pH = 5.5): -6.368213
• LogD (pH = 7.4): -5.350595
• Log P: -3.42848
• Molar Refractivity: 68.9 cm^3
• Polarizability: 18.338848 Å^3
• Polar Surface Area: 137.25 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• Storage Warning: Hygroscopic
• TSCA Listed: 否

Product Information

• Purity: 97%