Product Name

  • Name

    4-(2-Quinoxalinylamino)benzoic acid ethyl ester

  • EINECS
  • CAS No. 361390-39-8
  • Density 1.272 g/cm3
  • Solubility
  • Melting Point
  • Formula C17H15N3O2
  • Boiling Point 463.7 °C at 760 mmHg
  • Molecular Weight 293.32
  • Flash Point 234.2 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 361390-39-8 (4-(2-Quinoxalinylamino)benzoic acid ethyl ester)
  • Hazard Symbols
  • Synonyms Ethyl 4-(quinoxalin-2-ylamino)benzoate;
  • PSA 64.11000
  • LogP 3.62310

4-(2-Quinoxalinylamino)benzoic acid ethyl ester Specification

The 4-(2-Quinoxalinylamino)benzoic acid ethyl ester, with the CAS registry number 361390-39-8, is also known as Benzoic acid, 4-(2-quinoxalinylamino)-, ethyl ester. This chemical's molecular formula is C17H15N3O2 and molecular weight is 293.32. What's more, its systematic name is called Ethyl 4-(quinoxalin-2-ylamino)benzoate.

Physical properties about 4-(2-Quinoxalinylamino)benzoic acid ethyl ester are: (1)ACD/LogP: 3.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.66; (4)ACD/LogD (pH 7.4): 3.66; (5)ACD/BCF (pH 5.5): 356.75; (6)ACD/BCF (pH 7.4): 356.8; (7)ACD/KOC (pH 5.5): 2336.49; (8)ACD/KOC (pH 7.4): 2336.85; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 55.32 Å2; (13)Index of Refraction: 1.669; (14)Molar Refractivity: 86.05 cm3; (15)Molar Volume: 230.4 cm3; (16)Surface Tension: 58.5 dyne/cm; (17)Density: 1.272 g/cm3; (18)Flash Point: 234.2 °C; (19)Enthalpy of Vaporization: 72.5 kJ/mol; (20)Boiling Point: 463.7 °C at 760 mmHg; (21)Vapour Pressure: 8.9E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC)c1ccc(cc1)Nc2nc3ccccc3nc2
(2) InChI: InChI=1/C17H15N3O2/c1-2-22-17(21)12-7-9-13(10-8-12)19-16-11-18-14-5-3-4-6-15(14)20-16/h3-11H,2H2,1H3,(H,19,20)
(3) InChIKey: ZCLXAFUZIXNJHF-UHFFFAOYAN

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