2-Butenamide, (2E)- supplier

Name
Crotonamide
EINECS
CAS No. 625-37-6
Article Data22
CAS DataBase
Density 0.956 g/cm³
Solubility
Melting Point 140-143°C
Formula C₄H₇NO
Boiling Point 218.7 °C at 760 mmHg
Molecular Weight 85.1057
Flash Point 86 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Butenamide,(E)-;Crotonamide, (E)- (8CI);(E)-2-Butenamide;Ethylene,1-(aminocarbonyl)-2-methyl-, trans-;NSC 11802;trans-2-Butenamide;trans-Crotonamide;
PSA 43.09000
LogP 0.74810

2-Butenamide, (2E)- Specification

The 2-Butenamide, (2E)-, with the CAS registry number of 625-37-6, is also known as trans-Crotonamide and NSC11802. This chemical's molecular formula is C₄H₇NO and molecular weight is 85.1045. What's more, its IUPAC name is (E)-But-2-enamide.

Physical properties about 2-Butenamide, (2E)- are: (1)ACD/LogP: -0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.26; (4)ACD/LogD (pH 7.4): -0.26; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 17.27; (8)ACD/KOC (pH 7.4): 17.27; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å²; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 24.2 cm³; (15)Molar Volume: 88.9 cm³; (16)Polarizability: 9.59×10^-24 cm³; (17)Surface Tension: 32.6 dyne/cm; (18)Density: 0.956 g/cm³; (19)Flash Point: 86 °C; (20)Enthalpy of Vaporization: 45.5 kJ/mol; (21)Boiling Point: 218.7 °C at 760 mmHg; (22)Vapour Pressure: 0.124 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(/C=C/C)N
(2) InChI: InChI=1/C4H7NO/c1-2-3-4(5)6/h2-3H,1H3,(H2,5,6)/b3-2+
(3) InChIKey: NQQRXZOPZBKCNF-NSCUHMNNBD

Product Name

Crotonamide

2-Butenamide, (2E)- Specification

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