(2S)-2-amino-5-carbamimidamidopentanamide hydrochloride

• ChemBase ID: 155287
• Molecular Formular: C6H16ClN5O
• Molecular Mass: 209.67714
• Monoisotopic Mass: 209.10433784
• SMILES: C(C[C@@H](C(=O)N)N)CNC(=N)N.Cl
• Canonical SMILES: NC(=N)NCCC[C@@H](C(=O)N)N.Cl
• InChI: InChI=1S/C6H15N5O.ClH/c7-4(5(8)12)2-1-3-11-6(9)10;/h4H,1-3,7H2,(H2,8,12)(H4,9,10,11);1H/t4-;/m0./s1
• InChIKey: BPQLYFCEVVKLLX-WCCKRBBISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-amino-5-carbamimidamidopentanamide hydrochloride
• IUPAC Traditional name: (2S)-2-amino-5-carbamimidamidopentanamide hydrochloride
• Synonyms: L-Argininamide dihydrochloride

Database IDs

• CAS Number: 14975-30-5
• MDL Number: MFCD00058286
• PubChem SID: 162249425; 24890827
• PubChem CID: 16218903

CALCULATED PROPERTIES

• Acid pKa: 16.3105
• H Acceptors: 5
• H Donor: 5
• LogD (pH = 5.5): -7.136367
• LogD (pH = 7.4): -5.4431906
• Log P: -2.2958941
• Molar Refractivity: 55.7453 cm^3
• Polarizability: 17.561668 Å^3
• Polar Surface Area: 131.01 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Toxic (T)
• German water hazard class: 1
• Risk Statements: 20/21/22-39/23/24/25
• Safety Statements: 36/37
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H370
• GHS Precautionary statements: P260-P307 + P311
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• Storage Temperature: -20°C

Product Information

• Empirical Formula (Hill Notation): C6H15N5O · 2HCl

DETAILS

Sigma Aldrich - A3913

Biochem/physiol Actions
L-Argininamide (L-Arm) is used as a model compound in studies of the physicochemical characteristic of ligand binding DNA aptamers and their potential development as fluorescent aptasensors.