Product Name

  • Name

    2-[(DIMETHYLAMINO)METHYLENE]-3-(2-FURYL)-3-OXO-PROPANENITRILE

  • EINECS 604-604-1
  • CAS No. 52200-21-2
  • Article Data3
  • CAS DataBase
  • Density 1.161 g/cm3
  • Solubility
  • Melting Point
  • Formula C10H10N2O2
  • Boiling Point 378.534 °C at 760 mmHg
  • Molecular Weight 190.2
  • Flash Point 182.731 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 52200-21-2 (2-[(DIMETHYLAMINO)METHYLENE]-3-(2-FURYL)-3-OXO-PROPANENITRILE)
  • Hazard Symbols IrritantXi
  • Synonyms α-[(Dimethylamino)methylene]-β-oxo-2-furanpropanenitrile;3-(Dimethylamino)-2-(2-furoyl)acrylonitrile;
  • PSA 57.24000
  • LogP 1.43138

2-Furanpropanenitrile, α-[(dimethylamino)methylene]-β-oxo- Specification

The 2-Furanpropanenitrile, α-[(dimethylamino)methylene]-β-oxo-, with the CAS registry number 52200-21-2, is also known as 3-(Dimethylamino)-2-(2-furoyl)acrylonitrile. This chemical's molecular formula is C10H10N2O2 and molecular weight is 190.2. What's more, its systematic name is 3-(Dimethylamino)-2-(furan-2-carbonyl)prop-2-enenitrile. In addition, this chemical may cause inflammation to the skin or other mucous membranes.

Physical properties about 2-Furanpropanenitrile, α-[(dimethylamino)methylene]-β-oxo- are: (1)ACD/LogP: 1.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.539; (4)ACD/LogD (pH 7.4): 1.539; (5)ACD/BCF (pH 5.5): 8.701; (6)ACD/BCF (pH 7.4): 8.701; (7)ACD/KOC (pH 5.5): 163.742; (8)ACD/KOC (pH 7.4): 163.75; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 57.24 Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 50.647 cm3; (15)Molar Volume: 163.838 cm3; (16)Polarizability: 20.078×10-24 cm3; (17)Surface Tension: 44.412 dyne/cm; (18)Density: 1.161 g/cm3; (19)Flash Point: 182.731 °C; (20)Enthalpy of Vaporization: 62.644 kJ/mol; (21)Boiling Point: 378.534 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: CN(C)C=C(C#N)C(=O)c1ccco1
(2) InChI: InChI=1/C10H10N2O2/c1-12(2)7-8(6-11)10(13)9-4-3-5-14-9/h3-5,7H,1-2H3
(3) InChIKey: NHZCYLWZVUYWIM-UHFFFAOYAV

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