tert-butyl (2S)-2-amino-5-carbamimidamidopentanoate dihydrochloride

• ChemBase ID: 290410
• Molecular Formular: C10H24Cl2N4O2
• Molecular Mass: 303.22916
• Monoisotopic Mass: 302.12763139
• SMILES: N[C@@H](CCCNC(=N)N)C(=O)OC(C)(C)C.Cl.Cl
• Canonical SMILES: N[C@H](C(=O)OC(C)(C)C)CCCNC(=N)N.Cl.Cl
• InChI: InChI=1S/C10H22N4O2.2ClH/c1-10(2,3)16-8(15)7(11)5-4-6-14-9(12)13;;/h7H,4-6,11H2,1-3H3,(H4,12,13,14);2*1H/t7-;;/m0../s1
• InChIKey: QTFOKKSRMYGTQT-KLXURFKVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl (2S)-2-amino-5-carbamimidamidopentanoate dihydrochloride
• IUPAC Traditional name: tert-butyl (2S)-2-amino-5-carbamimidamidopentanoate dihydrochloride
• Synonyms: H-Arg-OtBu 2HCl

Database IDs

• CAS Number: 87459-72-1
• MDL Number: MFCD08272286
• PubChem SID: 180675941
• PubChem CID: 66575041

CALCULATED PROPERTIES

• H Acceptors: 5
• H Donor: 4
• LogD (pH = 5.5): -4.5058584
• LogD (pH = 7.4): -2.9652457
• Log P: -0.28909773
• Molar Refractivity: 72.4978 cm^3
• Polarizability: 24.462288 Å^3
• Polar Surface Area: 114.22 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%