2-hydrazinyl-1-methyl-1H-1,3-benzodiazole

• ChemBase ID: 120838
• Molecular Formular: C8H10N4
• Molecular Mass: 162.1918
• Monoisotopic Mass: 162.09054634
• SMILES: c1(nc2c(n1C)cccc2)NN
• Canonical SMILES: NNc1nc2c(n1C)cccc2
• InChI: InChI=1S/C8H10N4/c1-12-7-5-3-2-4-6(7)10-8(12)11-9/h2-5H,9H2,1H3,(H,10,11)
• InChIKey: LKMYQGVYVQZJST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-1-methyl-1H-1,3-benzodiazole
• IUPAC Traditional name: 2-hydrazinyl-1-methyl-1,3-benzodiazole
• Synonyms: 2-hydrazinyl-1-methyl-1H-benzo[d]imidazole; 2-hydrazino-1-methyl-1H-benzimidazole; (1-Methyl-1H-benzoimidazol-2-yl)-hydrazine

Database IDs

• CAS Number: 7022-37-9
• MDL Number: MFCD00778770
• PubChem SID: 162215191
• PubChem CID: 1522265

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.78100646
• LogD (pH = 7.4): 1.5272686
• Log P: 1.5590727
• Molar Refractivity: 49.0452 cm^3
• Polarizability: 18.979082 Å^3
• Polar Surface Area: 55.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 69 - 71°C
• Hydrophobicity(logP): 1.726

Product Information

• Purity: 95%