Product Name

  • Name

    2-[(DIMETHYLAMINO)METHYLENE]-3-OXO-3-PHENYLPROPANENITRILE

  • EINECS
  • CAS No. 52200-09-6
  • Article Data9
  • CAS DataBase
  • Density 1.106 g/cm3
  • Solubility
  • Melting Point 128-129℃
  • Formula C12H12N2O
  • Boiling Point 395.7 °C at 760 mmHg
  • Molecular Weight 200.24
  • Flash Point 193.1 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 52200-09-6 (2-[(DIMETHYLAMINO)METHYLENE]-3-OXO-3-PHENYLPROPANENITRILE)
  • Hazard Symbols IrritantXi
  • Synonyms 2-Benzoyl-3-(dimethylamino)acrylonitrile;
  • PSA 44.10000
  • LogP 1.83838

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

The Benzenepropanenitrile, α-[(dimethylamino)methylene]-β-oxo-, with CAS registry number 52200-09-6, has the systematic name of (2E)-3-(dimethylamino)-2-(phenylcarbonyl)prop-2-enenitrile. Besides this, it is also called 2-[(Dimethylamino)methylene]-3-oxo-3-phenylpropanenitrile. And the chemical formula of this chemical is C12H12N2O.

Physical properties of Benzenepropanenitrile, α-[(dimethylamino)methylene]-β-oxo-: (1)ACD/LogP: 1.95; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 44.1 Å2; (7)Index of Refraction: 1.557; (8)Molar Refractivity: 58.34 cm3; (9)Molar Volume: 181 cm3; (10)Polarizability: 23.13×10-24cm3; (11)Surface Tension: 45 dyne/cm; (12)Density: 1.106 g/cm3; (13)Flash Point: 193.1 °C; (14)Enthalpy of Vaporization: 64.59 kJ/mol; (15)Boiling Point: 395.7 °C at 760 mmHg; (16)Vapour Pressure: 1.81E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C(\C#N)=C\N(C)C)c1ccccc1
(2)InChI: InChI=1/C12H12N2O/c1-14(2)9-11(8-13)12(15)10-6-4-3-5-7-10/h3-7,9H,1-2H3/b11-9+
(3)InChIKey: ZHLDDWYMGDGHRL-PKNBQFBNBD
(4)Std. InChI: InChI=1S/C12H12N2O/c1-14(2)9-11(8-13)12(15)10-6-4-3-5-7-10/h3-7,9H,1-2H3/b11-9+
(5)Std. InChIKey: ZHLDDWYMGDGHRL-PKNBQFBNSA-N

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View