CAS No.4223-03-4,N-TERT-OCTYLACRYLAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4223-03-4
Name:	N-TERT-OCTYLACRYLAMIDE

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

Synthetic route

: 107-39-1
2,4,4-trimethyl-1-pentene

: 107-13-1
acrylonitrile

: 4223-03-4
tertiary-octyl acrylamide

Conditions

Conditions	Yield
With sulfuric acid; acetic acid anschliessend mit Eis;

: 131516-80-8
β-diethylamino-N-tert-octylpropionamide

: 4223-03-4
tertiary-octyl acrylamide

Conditions

Conditions	Yield
With 4,4'-butylidenebis(6-tert-butyl-m-cresol) In ethylene glycol at 150℃; under 52.5053 Torr; for 4h; Inert atmosphere;

: 4223-03-4
tertiary-octyl acrylamide

: 2,3-dibromo-propionic acid-(1,1,3,3-tetramethyl-butylamide)

Conditions

Conditions	Yield
With tetrachloromethane; bromine

: 141-32-2
acrylic acid n-butyl ester

: 4223-03-4
tertiary-octyl acrylamide

: 79-10-7
acrylic acid

: 818-61-1
2-hydroxyethyl acrylate

poly(2-hydroxyethyl acrylate-co-acrylic acid-co-butyl acrylate-co-t-octyl acrylamide): poly(2-hydroxyethyl acrylate-co-acrylic acid-co-butyl acrylate-co-t-octyl acrylamide)

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile) In ethyl acetate Product distribution / selectivity; Heating / reflux;

...Expand

: 141-32-2
acrylic acid n-butyl ester

: 999-61-1
2-hydroxypropyl acrylate

: 4223-03-4
tertiary-octyl acrylamide

: 79-10-7
acrylic acid

poly(2-hydroxypropyl acrylate-co-acrylic acid-co-butyl acrylate-co-t-octyl acrylamide): poly(2-hydroxypropyl acrylate-co-acrylic acid-co-butyl acrylate-co-t-octyl acrylamide)

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile) Product distribution / selectivity; Heating / reflux;

...Expand

: 141-32-2
acrylic acid n-butyl ester

: 4223-03-4
tertiary-octyl acrylamide

: 79-10-7
acrylic acid

: 818-61-1
2-hydroxyethyl acrylate

poly(acrylic acid-co-butyl acrylate-co-2-hydroxyethyl acrylate-co-t-octyl acrylamide): poly(acrylic acid-co-butyl acrylate-co-2-hydroxyethyl acrylate-co-t-octyl acrylamide)

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile) In ethyl acetate Heating / reflux;

...Expand

: 141-32-2
acrylic acid n-butyl ester

: 999-61-1
2-hydroxypropyl acrylate

: 4223-03-4
tertiary-octyl acrylamide

: 79-10-7
acrylic acid

poly(acrylic acid-co-butyl acrylate-co-2-hydroxypropyl acrylate-co-t-octyl acrylamide): poly(acrylic acid-co-butyl acrylate-co-2-hydroxypropyl acrylate-co-t-octyl acrylamide)

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile) In ethyl acetate Heating / reflux;

...Expand

: 141-32-2
acrylic acid n-butyl ester

: 4223-03-4
tertiary-octyl acrylamide

: 79-10-7
acrylic acid

: 818-61-1
2-hydroxyethyl acrylate

poly(acrylic acid-co-butyl acrylate-co-2-hydroxyethyl acrylate-co-t-octyl acrylamide): poly(acrylic acid-co-butyl acrylate-co-2-hydroxyethyl acrylate-co-t-octyl acrylamide)

Conditions

Conditions	Yield
With 2,2'-azobis(isobutyronitrile) In ethyl acetate Heating / reflux;
With 2,2'-azobis(isobutyronitrile) In ethyl acetate Heating / reflux;

...Expand

: 4223-03-4
tertiary-octyl acrylamide

: 7398-69-8
dimethyldiallylammonium chloride

dimethyl diallyl ammonium chloride/N-tert-octyl acrylamide: dimethyl diallyl ammonium chloride/N-tert-octyl acrylamide

Conditions

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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Specification

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^-24cm³; (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.