CAS No.72078-82-1,N-METHYL-2-NITROACETAMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	72078-82-1
Name:	N-METHYL-2-NITROACETAMIDE
Article Data:	4

Formula:	C₃H₆N₂O₃
Molecular Weight:	118.092
Synonyms:	N-Methyl-2-nitroacetamide;N-Methylnitroacetamide;
Density:	1.304 g/cm³
Melting Point:	68-69 °C
Boiling Point:	325.3±25.0 °C(Predicted)
PSA:	74.92000
LogP:	-0.07680

Total:17 Page 1 of 1 1

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Specification

The Acetamide,N-methyl-2-nitro- is an organic compound with the formula C₃H₆N₂O₃. The systematic name of this chemical is [(1E)-2-(methylamino)-2-oxoethylidene]azinic acid. With the CAS registry number 72078-82-1, it is also named as N-Methyl-2-nitroacetamide.

Physical properties about Acetamide,N-methyl-2-nitro- are: (1)ACD/LogP: -0.93; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 12; (5)ACD/KOC (pH 7.4): 12; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 78.08 Å²; (10)Index of Refraction: 1.508; (11)Molar Refractivity: 27 cm³; (12)Molar Volume: 90.572 cm³; (13)Polarizability: 10.704×10^-24cm³; (14)Surface Tension: 47.79 dyne/cm; (15)Density: 1.304 g/cm³.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-]/[N+](O)=C\C(=O)NC
(2)InChI: InChI=1/C3H6N2O3/c1-4-3(6)2-5(7)8/h2H,1H3,(H,4,6)(H,7,8)
(3)InChIKey: SCKOYGXCCFINQW-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C3H6N2O3/c1-4-3(6)2-5(7)8/h2H,1H3,(H,4,6)(H,7,8)
(5)Std. InChIKey: SCKOYGXCCFINQW-UHFFFAOYSA-N