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

• ChemBase ID: 67074
• Molecular Formular: C9H14ClN3O2
• Molecular Mass: 231.67936
• Monoisotopic Mass: 231.07745438
• SMILES: c12CNCCn1cc(n2)C(=O)OCC.Cl
• Canonical SMILES: CCOC(=O)c1cn2c(n1)CNCC2.Cl
• InChI: InChI=1S/C9H13N3O2.ClH/c1-2-14-9(13)7-6-12-4-3-10-5-8(12)11-7;/h6,10H,2-5H2,1H3;1H
• InChIKey: QXVVXFZKXXPMCZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: ethyl 5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxylate hydrochloride
• IUPAC Traditional name: ethyl 5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxylate hydrochloride
• Synonyms: Ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]-pyrazine-2-carboxylate hydrochloride; Ethyl 5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxylate hydrochloride

Database IDs

• CAS Number: 623906-17-2
• MDL Number: MFCD08059257
• PubChem SID: 162032810
• PubChem CID: 11845779

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%