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Benzoic acid,4-(2,5-dimethyl-1H-pyrrol-1-yl)-, hydrazide

  • Name Benzoic acid,4-(2,5-dimethyl-1H-pyrrol-1-yl)-, hydrazide
  • EINECSN/A
  • CAS No. 26165-67-3
  • Density1.18 g/cm3
  • PSA60.05000
  • LogP2.78880
  • SolubilityN/A
  • Melting Point168 °C
  • FormulaC13H15N3O
  • Boiling PointN/A
  • Molecular Weight229.282
  • Flash PointN/A
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 26165-67-3 (4-(2,5-DIMETHYL-1H-PYRROL-1-YL)BENZOHYDRAZIDE)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data10

Benzoic acid,4-(2,5-dimethyl-1H-pyrrol-1-yl)-, hydrazide Specification

The CAS register number of Benzoic acid,4-(2,5-dimethyl-1H-pyrrol-1-yl)-, hydrazide is 26165-67-3. It also can be called as 4-[1-(2,5-Dimethylpyrrolo)]benzohydrazide and the systematic name about this chemical is 4-(2,5-dimethyl-1H-pyrrol-1-yl)benzohydrazide. The molecular formula about this chemical is C13H15N3O and the molecular weight is 229.28.

Physical properties about Benzoic acid,4-(2,5-dimethyl-1H-pyrrol-1-yl)-, hydrazide are: (1)ACD/LogP: 2.03; (2)ACD/LogD (pH 5.5): 2.03; (3)ACD/LogD (pH 7.4): 2.03; (4)ACD/BCF (pH 5.5): 20.44; (5)ACD/BCF (pH 7.4): 20.49; (6)ACD/KOC (pH 5.5): 301.53; (7)ACD/KOC (pH 7.4): 302.32; (8)#H bond acceptors: 4; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 28.48 Å2; (12)Index of Refraction: 1.609; (13)Molar Refractivity: 66.76 cm3; (14)Molar Volume: 192.7 cm3; (15)Polarizability: 26.46x10-24cm3; (16)Surface Tension: 44.7 dyne/cm; (17)Density: 1.18 g/cm3.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(c1ccc(cc1)n2c(ccc2C)C)NN
(2)InChI: InChI=1/C13H15N3O/c1-9-3-4-10(2)16(9)12-7-5-11(6-8-12)13(17)15-14/h3-8H,14H2,1-2H3,(H,15,17)
(3)InChIKey: HJLBBIMOIDHHIB-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C13H15N3O/c1-9-3-4-10(2)16(9)12-7-5-11(6-8-12)13(17)15-14/h3-8H,14H2,1-2H3,(H,15,17)
(5)Std. InChIKey: HJLBBIMOIDHHIB-UHFFFAOYSA-N

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