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

• ChemBase ID: 31062
• Molecular Formular: C8H11ClN4
• Molecular Mass: 198.65274
• Monoisotopic Mass: 198.06722405
• SMILES: c1(nc2c(n1C)cccc2)NN.Cl
• Canonical SMILES: NNc1nc2c(n1C)cccc2.Cl
• InChI: InChI=1S/C8H10N4.ClH/c1-12-7-5-3-2-4-6(7)10-8(12)11-9;/h2-5H,9H2,1H3,(H,10,11);1H
• InChIKey: GMGZZLZIPBXMPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07774697
• PubChem SID: 160994369
• PubChem CID: 24320914

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 0.78668386
• LogD (pH = 7.4): 1.5272747
• 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: 284 - 286°C
• Hydrophobicity(logP): 1.726

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%