Product Name

  • Name

    N'-(2-CYANO-4-NITROPHENYL)-N,N-DIMETHYLIMINOFORMAMIDE

  • EINECS
  • CAS No. 39263-34-8
  • Article Data4
  • CAS DataBase
  • Density 1.2 g/cm3
  • Solubility
  • Melting Point 146-148
  • Formula C10H10N4O2
  • Boiling Point 387.7 °C at 760 mmHg
  • Molecular Weight 218.215
  • Flash Point 188.3 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 39263-34-8 (N'-(2-CYANO-4-NITROPHENYL)-N,N-DIMETHYLIMINOFORMAMIDE)
  • Hazard Symbols IrritantXi
  • Synonyms N'-(2-Cyano-4-nitrophenyl)-N,N-dimethylformamidine;N'-(2-Cyano-4-nitrophenyl)-N,N-dimethyliminoformamide;
  • PSA 85.21000
  • LogP 2.21108

Methanimidamide,N'-(2-cyano-4-nitrophenyl)-N,N-dimethyl- Specification

The Methanimidamide,N'-(2-cyano-4-nitrophenyl)-N,N-dimethyl-, with the CAS registry number 39263-34-8, is also known as N'-(2-Cyano-4-nitrophenyl)-N,N-dimethylformamidine. This chemical's molecular formula is C10H10N4O2 and molecular weight is 218.21. What's more, its systematic name is N'-(2-cyano-4-nitrophenyl)-N,N-dimethylimidoformamide. 

Physical properties of Methanimidamide,N'-(2-cyano-4-nitrophenyl)-N,N-dimethyl- are: (1)ACD/LogP: 2.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 21.62; (6)ACD/BCF (pH 7.4): 24.05; (7)ACD/KOC (pH 5.5): 304.61; (8)ACD/KOC (pH 7.4): 338.85; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 85.21 Å2; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 60.29 cm3; (15)Molar Volume: 181 cm3; (16)Polarizability: 23.9×10-24 cm3; (17)Surface Tension: 48.2 dyne/cm; (18)Density: 1.2 g/cm3; (19)Flash Point: 188.3 °C; (20)Enthalpy of Vaporization: 63.68 kJ/mol; (21)Boiling Point: 387.7 °C at 760 mmHg; (22)Vapour Pressure: 3.23E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: N#Cc1cc(ccc1\N=C\N(C)C)[N+]([O-])=O
(2)InChI: InChI=1/C10H10N4O2/c1-13(2)7-12-10-4-3-9(14(15)16)5-8(10)6-11/h3-5,7H,1-2H3/b12-7+
(3)InChIKey: RLSZPRPVHOOMBN-KPKJPENVBD

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