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| CAS No.: | 25229-97-4 |
|---|---|
| Name: | 2-Cyano-3-morpholinoacrylamide |
| Molecular Structure: | |
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| Formula: | C8H11N3O2 |
| Molecular Weight: | 181.194 |
| Synonyms: | 4-Morpholineacrylamide,a-cyano- (8CI);2-Cyano-3-morpholinoacrylamide;3-Morpholino-2-cyanoacrylamide; |
| EINECS: | 246-741-5 |
| Density: | 1.342 g/cm3 |
| Melting Point: | 173-177 °C |
| Boiling Point: | 396.1 °C at 760 mmHg |
| Flash Point: | 193.4 °C |
| Appearance: | light yellow crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-37/39 |
| PSA: | 79.35000 |
| LogP: | -0.15042 |
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Specification
The 2-Cyano-3-morpholinoacrylamide, with the CAS registry number 25229-97-4, is also known as 2-Propenamide, 2-cyano-3-(4-morpholinyl)-, (2E)-. Its EINECS number is 246-741-5. This chemical's molecular formula is C8H11N3O2 and molecular weight is 181.19. Its IUPAC name is called (E)-2-cyano-3-morpholin-4-ylprop-2-enamide. This chemical is light yellow crystalline powder.
Physical properties of 2-Cyano-3-morpholinoacrylamide: (1)ACD/LogP: -0.85; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 8.19; (5)ACD/KOC (pH 7.4): 8.19; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Index of Refraction: 1.618; (10)Molar Refractivity: 47.31 cm3; (11)Molar Volume: 134.9 cm3; (12)Surface Tension: 73.9 dyne/cm; (13)Density: 1.342 g/cm3; (14)Flash Point: 193.4 °C; (15)Enthalpy of Vaporization: 64.64 kJ/mol; (16)Boiling Point: 396.1 °C at 760 mmHg; (17)Vapour Pressure: 1.75E-06 mmHg at 25°C.
Preparation of 2-Cyano-3-morpholinoacrylamide: this chemical can be prepared by 2-cyano-acetamide and 4,4',4''-methanetriyl-tris-morpholine. The yield is about 91%.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1COCCN1C=C(C#N)C(=O)N
(2)Isomeric SMILES: C1COCCN1/C=C(\C#N)/C(=O)N
(3)InChI: InChI=1S/C8H11N3O2/c9-5-7(8(10)12)6-11-1-3-13-4-2-11/h6H,1-4H2,(H2,10,12)/b7-6+
(4)InChIKey: LLKCXVWITGBXLG-VOTSOKGWSA-N