2-amino-5-carbamimidamidopentanoic acid hydrochloride

• ChemBase ID: 102233
• Molecular Formular: C6H15ClN4O2
• Molecular Mass: 210.6619
• Monoisotopic Mass: 210.08835342
• SMILES: Cl.NC(CCCNC(=N)N)C(=O)O
• Canonical SMILES: NC(=N)NCCCC(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
• InChIKey: KWTQSFXGGICVPE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-carbamimidamidopentanoic acid hydrochloride
• IUPAC Traditional name: arginine hydrochloride
• Synonyms: 2-amino-5-guanidinopentanoic acid hydrochloride; Arginine; 1-Hydrochloride arginine; DL-ARGININE HYDROCHLORIDE; DL-Arginine hydrochloride; 2-Amino-5-guanidinovaleric acid monohydrochloride; DL-精氨酸 盐酸盐

Database IDs

• CAS Number: 32042-43-6; 1119-34-2
• EC Number: 250-903-0
• MDL Number: MFCD00064549
• PubChem SID: 162088387; 24890747
• PubChem CID: 85880

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: 192-195°C

Safety Information

• Storage Condition: Room Temperature (15-30°C)
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98% (TLC); 97%
• Salt Data: HCl

DETAILS

MP Biomedicals - 02100733

Hydrochloride
Crystalline

Sigma Aldrich - A4881

Substrates
Substrate for nitric oxide synthetase; induces insulin release by a nitric oxide-dependent mechanism.