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CAS No.: | 4223-03-4 |
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Name: | N-TERT-OCTYLACRYLAMIDE |
Molecular Structure: | |
Formula: | C11H21NO |
Molecular Weight: | 183.294 |
Synonyms: | Acrylamide,N-(1,1,3,3-tetramethylbutyl)- (6CI,8CI);N-(1,1,3,3-Tetramethylbutyl)-2-propenamide;N-(1,1,3,3-Tetramethylbutyl)acrylamide;N-tert-Octylacrylamide;NSC 9035;N-(2,4,4-Trimethylpentan-2-yl)prop-2-enamide;Acrylamide, N-(5,5-dimethylhexyl)-; |
EINECS: | 224-169-7 |
Density: | 0.867 g/cm3 |
Melting Point: | 63-64 °C |
Boiling Point: | 289.6 °C at 760 mmHg |
Flash Point: | 171.1 °C |
Solubility: | 1.01g/L at 20℃ |
Risk Codes: | 36/37/38 |
Safety: | 26-36/37/39 |
PSA: | 29.10000 |
LogP: | 2.89430 |
Conditions | Yield |
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With sulfuric acid; acetic acid anschliessend mit Eis; |
β-diethylamino-N-tert-octylpropionamide
tertiary-octyl acrylamide
Conditions | Yield |
---|---|
With 4,4'-butylidenebis(6-tert-butyl-m-cresol) In ethylene glycol at 150℃; under 52.5053 Torr; for 4h; Inert atmosphere; |
tertiary-octyl acrylamide
Conditions | Yield |
---|---|
With tetrachloromethane; bromine |
acrylic acid n-butyl ester
tertiary-octyl acrylamide
acrylic acid
2-hydroxyethyl acrylate
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile) In ethyl acetate Product distribution / selectivity; Heating / reflux; |
acrylic acid n-butyl ester
2-hydroxypropyl acrylate
tertiary-octyl acrylamide
acrylic acid
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile) Product distribution / selectivity; Heating / reflux; |
acrylic acid n-butyl ester
tertiary-octyl acrylamide
acrylic acid
2-hydroxyethyl acrylate
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile) In ethyl acetate Heating / reflux; |
acrylic acid n-butyl ester
2-hydroxypropyl acrylate
tertiary-octyl acrylamide
acrylic acid
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile) In ethyl acetate Heating / reflux; |
acrylic acid n-butyl ester
tertiary-octyl acrylamide
acrylic acid
2-hydroxyethyl acrylate
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile) In ethyl acetate Heating / reflux; | |
With 2,2'-azobis(isobutyronitrile) In ethyl acetate Heating / reflux; |
Conditions | Yield |
---|---|
With 2,2'-azobis(isobutyronitrile) In methanol; ethanol; water at 68℃; for 79.5h; Product distribution / selectivity; Heating / reflux; |
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The 2-Propenamide,N-(1,1,3,3-tetramethylbutyl)-, with the CAS registry number 4223-03-4, is also known as N-tert-Octylacrylamide. Its EINECS number is 224-169-7. It belongs to the product category of Monomer. This chemical's molecular formula is C11H21NO and molecular weight is 183.29. What's more, its systematic name is N-(2,4,4-Trimethylpentan-2-yl)prop-2-enamide.
Physical properties of 2-Propenamide,N-(1,1,3,3-tetramethylbutyl)- are: (1)ACD/LogP: 2.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.3; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 33.22; (6)ACD/BCF (pH 7.4): 33.22; (7)ACD/KOC (pH 5.5): 427.25; (8)ACD/KOC (pH 7.4): 427.25; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 56.29 cm3; (15)Molar Volume: 211.2 cm3; (16)Polarizability: 22.31×10-24 cm3; (17)Surface Tension: 27.1 dyne/cm; (18)Density: 0.867 g/cm3; (19)Flash Point: 171.1 °C; (20)Enthalpy of Vaporization: 52.89 kJ/mol; (21)Boiling Point: 289.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00218 mmHg at 25°C.
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)Canonical SMILES: CC(C)(C)CC(C)(C)NC(=O)C=C
(2)InChI: InChI=1S/C11H21NO/c1-7-9(13)12-11(5,6)8-10(2,3)4/h7H,1,8H2,2-6H3,(H,12,13)
(3)InChIKey: YRDNVESFWXDNSI-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | oral | 1210mg/kg (1210mg/kg) | Archives of Toxicology. Vol. 47, Pg. 179, 1981. |