2-amino-5-carbamimidamidopentanoic acid

• ChemBase ID: 107492
• Molecular Formular: C6H14N4O2
• Molecular Mass: 174.20096
• Monoisotopic Mass: 174.11167571
• SMILES: NC(CCCNC(=N)N)C(=O)O
• Canonical SMILES: NC(=N)NCCCC(C(=O)O)N
• InChI: InChI=1S/C6H14N4O2/c7-4(5(11)12)2-1-3-10-6(8)9/h4H,1-3,7H2,(H,11,12)(H4,8,9,10)
• InChIKey: ODKSFYDXXFIFQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-carbamimidamidopentanoic acid
• IUPAC Traditional name: arginine
• Synonyms: DL-ARGININE; (±)-2-Amino-5-guanidinopentanoic acid; DL-Arginine; (±)-2-氨基-5-胍基戊酸; DL-精氨酸

Database IDs

• CAS Number: 7200-25-1
• EC Number: 230-571-3
• MDL Number: MFCD00063117
• Beilstein Number: 1725411
• PubChem SID: 162093773; 24846967
• PubChem CID: 232

CALCULATED PROPERTIES

• Acid pKa: 2.4118392
• H Acceptors: 6
• H Donor: 5
• LogD (pH = 5.5): -6.1142516
• LogD (pH = 7.4): -5.121845
• Log P: -3.1615653
• 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: ca 230°C dec.

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36
• Safety Statements: 26
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H319
• GHS Precautionary statements: P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (NT); 98%
• Linear Formula: HN=C(NH2)NH(CH2)3CH(NH2)COOH

DETAILS

MP Biomedicals - 05203966

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 11020

Packaging
5, 25 g in glass bottle