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

• ChemBase ID: 306929
• Molecular Formular: C10H14N4
• Molecular Mass: 190.24496
• Monoisotopic Mass: 190.12184647
• SMILES: c1(nc2c(n1CCC)cccc2)NN
• Canonical SMILES: CCCn1c(NN)nc2c1cccc2
• InChI: InChI=1S/C10H14N4/c1-2-7-14-9-6-4-3-5-8(9)12-10(14)13-11/h3-6H,2,7,11H2,1H3,(H,12,13)
• InChIKey: ADBLYFQPJPCKKG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-hydrazinyl-1-propyl-1H-1,3-benzodiazole
• IUPAC Traditional name: 2-hydrazinyl-1-propyl-1,3-benzodiazole
• Synonyms: 2-hydrazino-1-propyl-1H-benzimidazole

Database IDs

• CAS Number: 388574-71-8
• MDL Number: MFCD04559561

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 1.6795657
• LogD (pH = 7.4): 2.4085364
• Log P: 2.4384031
• Molar Refractivity: 58.3178 cm^3
• Polarizability: 22.671476 Å^3
• Polar Surface Area: 55.87 Å^2