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2-(1-Cyano-1-methylethyl)azocarboxamide

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  • Name 2-(1-Cyano-1-methylethyl)azocarboxamide
  • EINECS233-638-5
  • CAS No. 10288-28-5
  • Density1.2 g/cm3
  • PSA91.60000
  • LogP1.51978
  • Solubilitysoluble in water, in ethanol
  • Melting Point76-78°C
  • FormulaC12H16N4O4
  • Boiling Point246.7 °C at 760 mmHg
  • Molecular Weight140.14
  • Flash Point103 °C
  • Transport InformationN/A
  • Appearancepale yellow crystals
  • Safety16-24/25-36/37/39
  • Risk Codes2017/11/22
  • Molecular Structure
    Molecular Structure of 10288-28-5 (2-(1-Cyano-1-methylethyl)azocarboxamide)
  • Hazard SymbolsN/A
  • SynonymsN/A

2-(1-Cyano-1-methylethyl)azocarboxamide Chemical Properties

IUPAC Name: 2-Cyanopropan-2-yliminourea
Synonyms of 2-(1-Cyano-1-methylethyl)azocarboxamide (CAS NO.10288-28-5): (1-Cyano-1-methyl-ethyl)iminourea
CAS NO: 10288-28-5
Molecular Formula: C12H16N4O4
Molecular Weight: 140.14
Molecular Structure:
EINECS: 233-638-5
H bond acceptors: 5
H bond donors: 2
Freely Rotating Bonds: 2
Polar Surface Area: 91.6 Å2
Index of Refraction: 1.538
Molar Refractivity: 36.53 cm3
Molar Volume: 116.7 cm3
Surface Tension: 47.6 dyne/cm
Density: 1.2 g/cm3
Flash Point: 103 °C
Enthalpy of Vaporization: 48.38 kJ/mol
Boiling Point: 246.7 °C at 760 mmHg
Vapour Pressure: 0.0267 mmHg at 25°C 
SMILES: CC(C)(C#N)/N=N/C(N)=O
InChI: InChI=1/C5H8N4O/c1-5(2,3-6)9-8-4(7)10/h1-2H3,(H2,7,10)
InChIKey: CKSAKVMRQYOFBC-UHFFFAOYAF
Std. InChI: InChI=1S/C5H8N4O/c1-5(2,3-6)9-8-4(7)10/h1-2H3,(H2,7,10)
Std. InChIKey: CKSAKVMRQYOFBC-UHFFFAOYSA-N
Product Categories of 2-(1-Cyano-1-methylethyl)azocarboxamide (CAS NO.10288-28-5): pharmacetical

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