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2-Butenediamide, (2E)-

  • Name 2-Butenediamide, (2E)-
  • EINECS211-007-5
  • CAS No. 627-64-5
  • Density1.271 g/cm3
  • PSA86.18000
  • LogP-0.08620
  • SolubilityN/A
  • Melting Point290 °C (dec.)(lit.)
  • FormulaC4H6N2O2
  • Boiling Point461.8 °C at 760 mmHg
  • Molecular Weight114.104
  • Flash Point233.1 °C
  • Transport InformationN/A
  • Appearancewhite powder
  • Safety24/25
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 627-64-5 (Fumaramide)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data17

2-Butenediamide, (2E)- Specification

The 2-Butenediamide, (2E)-, with the CAS registry number of 627-64-5, is also known as Fumaramide. It belongs to the product category of Monomer. Its EINECS registry number is 211-007-5. This chemical's molecular formula is C4H6N2O2 and molecular weight is 114.1. What's more, its IUPAC name is (E)-But-2-enediamide. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should be avoided contact with oxidant. During using it, you should avoid contacting with skin and eyes. Besides, 2-Butenediamide, (2E)- can be prepared by Diethyl fumarate and it can be used as synthetic organic intermediate.

Physical properties about 2-Butenediamide, (2E)- are: (1)ACD/LogP: -2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.66; (6)ACD/KOC (pH 7.4): 1.66; (7)#H bond acceptors: 4; (8)#H bond donors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 40.62 Å2; (11)Index of Refraction: 1.53; (12)Molar Refractivity: 27.76 cm3; (13)Molar Volume: 89.7 cm3; (14)Surface Tension: 57 dyne/cm; (15)Density: 1.271 g/cm3; (16)Flash Point: 233.1 °C; (17)Enthalpy of Vaporization: 72.28 kJ/mol; (18)Boiling Point: 461.8 °C at 760 mmHg; (19)Vapour Pressure: 1.04E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(N)\C=C\C(=O)N
(2) InChI: InChI=1/C4H6N2O2/c5-3(7)1-2-4(6)8/h1-2H,(H2,5,7)(H2,6,8)/b2-1+
(3) InChIKey: BSSNZUFKXJJCBG-OWOJBTEDBI

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