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2-Propenamide,N-2-propen-1-yl-

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Name

2-Propenamide,N-2-propen-1-yl-

EINECS N/A
CAS No. 2555-13-7 Density 0.898 g/cm3
PSA 29.10000 LogP 0.86550
Solubility N/A Melting Point N/A
Formula C6H9NO Boiling Point 240.1 °C at 760 mmHg
Molecular Weight 111.14 Flash Point 129.5 °C
Transport Information N/A Appearance N/A
Safety 26-36/37/39 Risk Codes 20/21/22-36/37/38
Molecular Structure Molecular Structure of 2555-13-7 (N-ALLYLACRYLAMIDE) Hazard Symbols N/A
Synonyms

2-Propenamide,N-2-propenyl- (9CI);Acrylamide, N-allyl- (6CI,7CI,8CI);N-Allylacrylamide;NSC20946;N-(Prop-2-en-1-yl)prop-2-enamide;N-Prop-2-enylprop-2-enamide;N-2,2-Propenyl-2-propenamide;

Article Data 8

2-Propenamide,N-2-propen-1-yl- Specification

The 2-Propenamide,N-2-propen-1-yl-, with the CAS registry number 2555-13-7, is also known as N-Allylacrylamide. It belongs to the product category of Monomer. This chemical's molecular formula is C6H9NO and molecular weight is 111.14. What's more, its systematic name is N-(Prop-2-en-1-yl)prop-2-enamide.

Physical properties of 2-Propenamide,N-2-propen-1-yl- are: (1)ACD/LogP: 0.14; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.14; (4)ACD/LogD (pH 7.4): 0.14; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 28.55; (8)ACD/KOC (pH 7.4): 28.55; (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: 1.444; (14)Molar Refractivity: 32.92 cm3; (15)Molar Volume: 123.6 cm3; (16)Polarizability: 13.05×10-24 cm3; (17)Surface Tension: 26.9 dyne/cm; (18)Density: 0.898 g/cm3; (19)Flash Point: 129.5 °C; (20)Enthalpy of Vaporization: 47.7 kJ/mol; (21)Boiling Point: 240.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0386 mmHg at 25°C.

Preparation: this chemical can be prepared by acrylonitrile and allyl-trimethyl-silane at the temperature of 0 °C. This reaction will need reagent thallium(III) trifluoroacetate with the reaction time of 2 hours. The yield is about 37%.

2-Propenamide,N-2-propen-1-yl- can be prepared by acrylonitrile and allyl-trimethyl-silane at the temperature of 0 °C

Uses of 2-Propenamide,N-2-propen-1-yl-: it can be used to produce acryloyl-propenyl-carbamic acid tert-butyl ester. It will need reagent DMAP and solvent tetrahydrofuran. The yield is about 76%.

2-Propenamide,N-2-propen-1-yl- can be used to produce acryloyl-propenyl-carbamic acid tert-butyl ester

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed and 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)Canonical SMILES: C=CCNC(=O)C=C
(2)InChI: InChI=1S/C6H9NO/c1-3-5-7-6(8)4-2/h3-4H,1-2,5H2,(H,7,8)
(3)InChIKey: CNPHCSFIDKZQAK-UHFFFAOYSA-N  

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