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| CAS No.: | 627-64-5 |
|---|---|
| Name: | Fumaramide |
| Article Data: | 17 |
| Molecular Structure: | |
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| Formula: | C4H6N2O2 |
| Molecular Weight: | 114.104 |
| Synonyms: | 2-Butenediamide,(E)-;Fumaramide (6CI,7CI,8CI);Fumaric acid diamide;Fumaric diamide; |
| EINECS: | 211-007-5 |
| Density: | 1.271 g/cm3 |
| Melting Point: | 290 °C (dec.)(lit.) |
| Boiling Point: | 461.8 °C at 760 mmHg |
| Flash Point: | 233.1 °C |
| Appearance: | white powder |
| Safety: | 24/25 |
| PSA: | 86.18000 |
| LogP: | -0.08620 |
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- Total:22 Page 1 of 1 1
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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