2-Butenediamide, (2E)- supplier

Name
Fumaramide
EINECS 211-007-5
CAS No. 627-64-5
Article Data17
CAS DataBase
Density 1.271 g/cm³
Solubility
Melting Point 290 °C (dec.)(lit.)
Formula C₄H₆N₂O₂
Boiling Point 461.8 °C at 760 mmHg
Molecular Weight 114.104
Flash Point 233.1 °C
Transport Information
Appearance white powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Butenediamide,(E)-;Fumaramide (6CI,7CI,8CI);Fumaric acid diamide;Fumaric diamide;
PSA 86.18000
LogP -0.08620

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

Product Name

Fumaramide

2-Butenediamide, (2E)- Specification

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