5-(hydrazinylmethyl)-1-methyl-1H-imidazole

• ChemBase ID: 799622
• Molecular Formular: C5H10N4
• Molecular Mass: 126.1597
• Monoisotopic Mass: 126.09054634
• SMILES: n1(cncc1CNN)C
• Canonical SMILES: Cn1cncc1CNN
• InChI: InChI=1S/C5H10N4/c1-9-4-7-2-5(9)3-8-6/h2,4,8H,3,6H2,1H3
• InChIKey: HIPCZDJJSWENJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(hydrazinylmethyl)-1-methyl-1H-imidazole
• IUPAC Traditional name: 5-(hydrazinylmethyl)-1-methylimidazole
• Synonyms: 5-(hydrazinylmethyl)-1-methyl-1H-imidazole

Database IDs

• CAS Number: 887592-51-0

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -1.7007085
• LogD (pH = 7.4): -1.0971928
• Log P: -1.060434
• Molar Refractivity: 47.2373 cm^3
• Polarizability: 13.595776 Å^3
• Polar Surface Area: 55.87 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%