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6-Benzoxazolamine,2-(4-aminophenyl)-

  • Name 6-Benzoxazolamine,2-(4-aminophenyl)-
  • EINECSN/A
  • CAS No. 16363-53-4
  • Density1.329 g/cm3
  • PSA78.07000
  • LogP3.82160
  • SolubilityN/A
  • Melting Point194-195 °C
  • FormulaC13H11N3O
  • Boiling Point435.2 °C at 760 mmHg
  • Molecular Weight225.25
  • Flash Point217 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 16363-53-4 (2-(4-AMINOPHENYL)-6-AMINOBENZOXAZOLE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data2

6-Benzoxazolamine,2-(4-aminophenyl)- Specification

This product is an organic compound with the formula C13H11N3O. The IUPAC name of this chemical is 2-(4-Aminophenyl)-1,3-benzoxazol-6-amine. With the CAS registry number 16363-53-4, it is also named as 6-Amino-2-(4-aminophenyl)benzoxazole. In addition, the molecular weight is 225.24594. It belongs to the product categories of Chemical Amines; Heterocycles.

Physical properties about this chemical are: (1)ACD/LogP: 1.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.97; (4)ACD/LogD (pH 7.4): 1.97; (5)ACD/BCF (pH 5.5): 18.46; (6)ACD/BCF (pH 7.4): 18.55; (7)ACD/KOC (pH 5.5): 280.18; (8)ACD/KOC (pH 7.4): 281.5; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.729; (13)Molar Refractivity: 67.55 cm3; (14)Molar Volume: 169.4 cm3; (15)Surface Tension: 66.7 dyne/cm; (16)Density: 1.329 g/cm3; (17)Flash Point: 217 °C; (18)Enthalpy of Vaporization: 69.15 kJ/mol; (19)Boiling Point: 435.2 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: n1c3ccc(cc3oc1c2ccc(N)cc2)N
(2)InChI: InChI=1/C13H11N3O/c14-9-3-1-8(2-4-9)13-16-11-6-5-10(15)7-12(11)17-13/h1-7H,14-15H2
(3)InChIKey: IBKFNGCWUPNUHY-UHFFFAOYAJ

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