1-methyl-2,3-dihydro-1H-imidazole-4-carbohydrazide

• ChemBase ID: 804016
• Molecular Formular: C5H10N4O
• Molecular Mass: 142.1591
• Monoisotopic Mass: 142.08546096
• SMILES: N1CN(C=C1C(=O)NN)C
• Canonical SMILES: CN1CNC(=C1)C(=O)NN
• InChI: InChI=1S/C5H10N4O/c1-9-2-4(7-3-9)5(10)8-6/h2,7H,3,6H2,1H3,(H,8,10)
• InChIKey: PWDMELXHYSWWLU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-2,3-dihydro-1H-imidazole-4-carbohydrazide
• IUPAC Traditional name: 1-methyl-2,3-dihydroimidazole-4-carbohydrazide
• Synonyms: N'-METHYL-1H-IMIDAZOLE-5-CARBOHYDRAZIDE

Database IDs

• CAS Number: 23584-99-8

CALCULATED PROPERTIES

• Acid pKa: 12.756179
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -1.7695756
• LogD (pH = 7.4): -1.767151
• Log P: -1.7671182
• Molar Refractivity: 38.5422 cm^3
• Polarizability: 13.928833 Å^3
• Polar Surface Area: 70.39 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%