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

• ChemBase ID: 136598
• Molecular Formular: C6H15ClN4O2
• Molecular Mass: 211.6553089
• Monoisotopic Mass: 211.08538831
• SMILES: C(C[C@@H](C(=O)O)[15NH2])CNC(=N)N.Cl
• Canonical SMILES: NC(=N)NCCC[C@@H](C(=O)O)[15NH2].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/i7+1
• InChIKey: KWTQSFXGGICVPE-OMEWPDABSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-5-carbamimidamidopentanoic acid hydrochloride
• IUPAC Traditional name: L-arginine hydrochloride
• Synonyms: L-Arginine-α-15N hydrochloride

Database IDs

• MDL Number: MFCD20264869
• PubChem SID: 162230868
• PubChem CID: 71309937

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

Physical Property

• Melting Point: 226-230 °C(lit.)
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/38
• Safety Statements: 26
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P305 + P351 + P338

Product Information

• Purity: 97% (CP)
• Isotopic Purity: 98 atom % 15N
• Mol. Weight: mol wt 211.64 by atom % calculation
• Linear Formula: HN=C(NH2)NH(CH2)3CH(15NH2)COOH · HCl

DETAILS

Sigma Aldrich - 736139

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.