(2S)-2-amino-5-(15N3)carbamimidamidopentanoic acid hydrochloride

• ChemBase ID: 139383
• Molecular Formular: C6H15ClN4O2
• Molecular Mass: 214.63553559
• Monoisotopic Mass: 214.07649299
• SMILES: C(C[C@@H](C(=O)O)[15NH2])C[15NH]C(=[15NH])[15NH2].Cl
• Canonical SMILES: [15NH2]C(=[15NH])[15NH]CCC[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+1,8+1,9+1,10+1
• InChIKey: KWTQSFXGGICVPE-JYJSWXFRSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-5-(^1^5N₃)carbamimidamidopentanoic acid hydrochloride
• IUPAC Traditional name: (2S)-2-amino-5-(^1^5N₃)carbamimidamidopentanoic acid hydrochloride
• Synonyms: L-Arginine15N4 Monohydrochloride; Argamine-15N4; Arginine-15N4 Hydrochloride; Arginine-15N4 Monochloride; Arginine-15N4 Monohydrochloride; Argivene-15N4; Detoxargin-15N4; L-(+)-Arginine-15N4 Monohydrochloride; Levargin-15N4; Minophagen A-15N4; NSC 203450-15N4; NSC 7914-15N4; R-Gene-15N4; L-Arginine-15N4 Hydrochloride; SILAC Amino Acid; L-Arginine-15N4 hydrochloride

Database IDs

• MDL Number: MFCD00144559
• PubChem SID: 162233631; 24881774
• PubChem CID: 16217518

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

• Solubility: Water
• Apperance: White Solid
• Melting Point: 225-227°C (dec.); 226-230 °C (dec.)(lit.)
• Optical Rotation: [α]20/D +22°, c = 12 in 10% HCl
• Mass Shift: M+4

Safety Information

• Storage Condition: Hygroscopic, Refrigerator, Under Inert Atmosphere
• German water hazard class: 3

Product Information

• Purity: 97% (CP)
• Isotopic Purity: 99 atom % 15N
• Mol. Weight: mol wt 214.57 by atom % calculation
• Linear Formula: H215NC(15NH)15NH(CH2)3C(15NH2)CO2H · HCl

DETAILS

Sigma Aldrich - 600113

Packaging
100 mg in glass bottle
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.

Toronto Research Chemicals - A769502

Labelled L-Arginine (A769500). An essential amino acid for human development. Precursor for nitric oxide. Ammonia detoxicant (hepatic failure); diagnostic aid (pituitary function).

REFERENCES

• Miura, T., et al.: Anal. Biochem., 139, 432 (1984)
• Jones, et al.: Adv. Enzyme Regul., 9, 19 (1984)
• Borders, C.L., et al.: Protein. Sci., 3, 541 (1984)