CAS No.923-02-4,N-METHYLOL METHACRYLAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	923-02-4
Name:	N-METHYLOL METHACRYLAMIDE

Formula:	C₅H₉NO₂
Molecular Weight:	115.132
Synonyms:	Acrylamide,N-(hydroxymethyl)-2-methyl- (6CI,8CI);Hydroxymethyl methacrylamide;Methylolmethacrylamide;N-(Hydroxymethyl)methacrylamide;N-Methylolmethacrylamide;NSC 2691;N-(hydroxymethyl)-2-methylprop-2-enamide;2-propenamide, N-(hydroxymethyl)-2-methyl-;N-methylolmethacrylamide;
EINECS:	213-086-1
Density:	1.052 g/cm³
Melting Point:	53-55 oC
Boiling Point:	306.3 °C at 760 mmHg
Flash Point:	139 °C
Solubility:	600g/L at 20℃
Hazard Symbols:	Xn
Risk Codes:	22-40-43-68
Safety:	26-36/37/39-36/37-23
Transport Information:	UN 2810 6.1/PG 3
PSA:	49.33000
LogP:	0.01940

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Specification

The 2-Propenamide,N-(hydroxymethyl)-2-methyl-, with the CAS registry number 923-02-4 and EINECS registry number 213-086-1, has the systematic name and IUPAC name of N-(hydroxymethyl)-2-methylprop-2-enamide. And the molecular formula of the chemical is C₅H₉NO₂.

The characteristics of 2-Propenamide,N-(hydroxymethyl)-2-methyl- are as followings: (1)ACD/LogP: -0.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.93; (4)ACD/LogD (pH 7.4): -0.93; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 7.46; (8)ACD/KOC (pH 7.4): 7.46; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.54 Å²; (13)Index of Refraction: 1.459; (14)Molar Refractivity: 29.94 cm³; (15)Molar Volume: 109.4 cm³; (16)Polarizability: 11.86×10^-24cm³; (17)Surface Tension: 34.9 dyne/cm; (18)Density: 1.052 g/cm³; (19)Flash Point: 139 °C; (20)Enthalpy of Vaporization: 63.41 kJ/mol; (21)Boiling Point: 306.3 °C at 760 mmHg; (22)Vapour Pressure: 7.28E-05 mmHg at 25°C.

Uses of 2-Propenamide,N-(hydroxymethyl)-2-methyl-: It can react with sodium 5-nitrotetrazolate to produce 2-methyl-N-(5-nitro-tetrazol-2-ylmethyl)-acrylamide. This reaction will need reagent H₂SO₄ and H₂O. The reaction time is 24 hours with 18-20°C. And the yield is about 33%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(\C(=C)C)NCO
(2)InChI: InChI=1/C5H9NO2/c1-4(2)5(8)6-3-7/h7H,1,3H2,2H3,(H,6,8)
(3)InChIKey: DNTMQTKDNSEIFO-UHFFFAOYAM

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	oral	400mg/kg (400mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(9), Pg. 50, 1988.
rat	LD50	oral	282mg/kg (282mg/kg)		Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(9), Pg. 50, 1988.