ethyl (2S)-2-amino-5-carbamimidamidopentanoate dihydrochloride

• ChemBase ID: 102235
• Molecular Formular: C8H20Cl2N4O2
• Molecular Mass: 275.176
• Monoisotopic Mass: 274.09633126
• SMILES: Cl.Cl.CCOC(=O)[C@@H](N)CCCNC(=N)N
• Canonical SMILES: CCOC(=O)[C@H](CCCNC(=N)N)N.Cl.Cl
• InChI: InChI=1S/C8H18N4O2.2ClH/c1-2-14-7(13)6(9)4-3-5-12-8(10)11;;/h6H,2-5,9H2,1H3,(H4,10,11,12);2*1H/t6-;;/m0../s1
• InChIKey: RPFXMGGIQREZOH-ILKKLZGPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl (2S)-2-amino-5-carbamimidamidopentanoate dihydrochloride
• IUPAC Traditional name: L-arginine ethyl ester dihydrochloride
• Synonyms: Arg-Oet 2HCl; H-Arg-OEt • 2HCl; L-ARGININE ETHYL ESTER

Database IDs

• CAS Number: 36589-29-4
• MDL Number: MFCD00038949
• PubChem SID: 162088059
• PubChem CID: 45073230

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -5.1944237
• LogD (pH = 7.4): -3.658716
• Log P: -0.9862494
• Molar Refractivity: 63.4408 cm^3
• Polarizability: 20.797354 Å^3
• Polar Surface Area: 114.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Condition: 0°C

Product Information

• Purity: 96%

DETAILS

MP Biomedicals - 02100744

Hydrochloride