ethyl 5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxylate dihydrochloride

• ChemBase ID: 101353
• Molecular Formular: C9H15Cl2N3O2
• Molecular Mass: 268.1403
• Monoisotopic Mass: 267.0541321
• SMILES: c1(nc2n(c1)CCNC2)C(=O)OCC.Cl.Cl
• Canonical SMILES: CCOC(=O)c1cn2c(n1)CNCC2.Cl.Cl
• InChI: InChI=1S/C9H13N3O2.2ClH/c1-2-14-9(13)7-6-12-4-3-10-5-8(12)11-7;;/h6,10H,2-5H2,1H3;2*1H
• InChIKey: UVYMXIAFTVXRIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxylate dihydrochloride
• IUPAC Traditional name: ethyl 5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxylate dihydrochloride
• Synonyms: ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate dihydrochloride 0.5 hydrate

Database IDs

• CAS Number: 623564-18-1
• MDL Number: MFCD09064970
• PubChem SID: 162088830
• PubChem CID: 24229538

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -1.2659475
• LogD (pH = 7.4): -0.0202246
• Log P: 0.08457744
• Molar Refractivity: 50.9174 cm^3
• Polarizability: 19.691925 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%