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| CAS No.: | 3219-55-4 |
|---|---|
| Name: | N-BENZYLMETHACRYLAMIDE |
| Article Data: | 30 |
| Molecular Structure: | |
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| Formula: | C11H13NO |
| Molecular Weight: | 175.23 |
| Synonyms: | Acrylamide,N-benzyl-2-methyl- (6CI,7CI,8CI);N-Benzylmethacrylamide;N-Benzyl-2-methylprop-2-enamide;N-Benzyl-2-methylacrylamide;2-Methyl-N-(phenylmethyl)-2-propenamide; |
| EINECS: | 221-744-4 |
| Density: | 1.015 g/cm3 |
| Melting Point: | 82 °C |
| Boiling Point: | 358.9 °C at 760 mmHg |
| Flash Point: | 212.6 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 29.10000 |
| LogP: | 2.26980 |
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Specification
The 2-Propenamide,2-methyl-N-(phenylmethyl)-, with the CAS registry number 3219-55-4, is also known as N-Benzylmethacrylamide. Its EINECS number is 221-744-4. It belongs to the product category of Monomer. This chemical's molecular formula is C11H13NO and molecular weight is 175.23. What's more, its systematic name is N-Benzyl-2-methylprop-2-enamide.
Physical properties of 2-Propenamide,2-methyl-N-(phenylmethyl)- are: (1)ACD/LogP: 1.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.77; (4)ACD/LogD (pH 7.4): 1.77; (5)ACD/BCF (pH 5.5): 13.01; (6)ACD/BCF (pH 7.4): 13.01; (7)ACD/KOC (pH 5.5): 218.36; (8)ACD/KOC (pH 7.4): 218.36; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.524; (14)Molar Refractivity: 52.89 cm3; (15)Molar Volume: 172.6 cm3; (16)Polarizability: 20.96×10-24 cm3; (17)Surface Tension: 35.5 dyne/cm; (18)Density: 1.015 g/cm3; (19)Flash Point: 212.6 °C; (20)Enthalpy of Vaporization: 60.44 kJ/mol; (21)Boiling Point: 358.9 °C at 760 mmHg; (22)Vapour Pressure: 2.47E-05 mmHg at 25°C.
Preparation: this chemical can be prepared by 2-methyl-acrylic acid methyl ester and benzylamine at the temperature of 60 °C. This reaction will need solvent hexane with the reaction time of 3 days. The yield is about 40%.
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Uses of 2-Propenamide,2-methyl-N-(phenylmethyl)-: it can be used to produce N-benzyl-2-methylpropenimidoyl chloride. It will need reagent SOCl2. The yield is about 60%.
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When you are using this chemical, please be cautious about it as the following:
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. When using it, you need wear suitable protective clothing, gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(NCc1ccccc1)\C(=C)C
(2)InChI: InChI=1S/C11H13NO/c1-9(2)11(13)12-8-10-6-4-3-5-7-10/h3-7H,1,8H2,2H3,(H,12,13)
(3)InChIKey: CEBFLGHPYLIZSC-UHFFFAOYSA-N