Product Name

  • Name

    4-Methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonitrile

  • EINECS
  • CAS No. 912569-63-2
  • Density 1.29 g/cm3
  • Solubility
  • Melting Point 107-109°C
  • Formula C9H9N3O
  • Boiling Point 347.9 °C at 760 mmHg
  • Molecular Weight 175.18726
  • Flash Point 164.2 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 912569-63-2 (4-Methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonitrile)
  • Hazard Symbols
  • Synonyms 4-Methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonitrile;4-Methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonitrile 97%
  • PSA 49.15000
  • LogP 0.84688

2H-Pyrido[3,2-b]-1,4-oxazine-7-carbonitrile,3,4-dihydro-4-methyl- Specification

The 2H-Pyrido[3,2-b]-1,4-oxazine-7-carbonitrile,3,4-dihydro-4-methyl-, with CAS registry number 912569-63-2, has the systematic name of 4-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonitrile. Besides this, it is also called 4-Methyl-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazine-7-carbonitrile. And the chemical formula of this chemical is C9H9N3O.

Physical properties of 2H-Pyrido[3,2-b]-1,4-oxazine-7-carbonitrile,3,4-dihydro-4-methyl-: (1)ACD/LogP: 1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.33; (4)ACD/LogD (pH 7.4): 1.33; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 49.15 Å2; (9)Index of Refraction: 1.602; (10)Molar Refractivity: 46.57 cm3; (11)Molar Volume: 135.7 cm3; (12)Polarizability: 18.46×10-24cm3; (13)Surface Tension: 62.9 dyne/cm; (14)Density: 1.29 g/cm3; (15)Flash Point: 164.2 °C; (16)Enthalpy of Vaporization: 59.22 kJ/mol; (17)Boiling Point: 347.9 °C at 760 mmHg; (18)Vapour Pressure: 5.23E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CN1CCOc2c1ncc(c2)C#N
(2)InChI: InChI=1/C9H9N3O/c1-12-2-3-13-8-4-7(5-10)6-11-9(8)12/h4,6H,2-3H2,1H3
(3)InChIKey: VLSVLSBIHZDQTF-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C9H9N3O/c1-12-2-3-13-8-4-7(5-10)6-11-9(8)12/h4,6H,2-3H2,1H3
(5)Std. InChIKey: VLSVLSBIHZDQTF-UHFFFAOYSA-N

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