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4093-88-3

Basic Information
CAS No.: 4093-88-3
Name: METHYL-(3-NITRO-PYRIDIN-2-YL)-AMINE
Article Data: 24
Molecular Structure:
Molecular Structure of 4093-88-3 (METHYL-(3-NITRO-PYRIDIN-2-YL)-AMINE)
Formula: C6H7N3O2
Molecular Weight: 153.14
Synonyms: Pyridine,2-(methylamino)-3-nitro- (7CI,8CI);2-(Methylamino)-3-nitropyridine;N-Methyl-3-nitropyridin-2-amine;
Density: 1.343 g/cm3
Melting Point: 67-69 °C
Boiling Point: 287.3 °C at 760 mmHg
Flash Point: 127.6 °C
Hazard Symbols: IrritantXi
PSA: 70.74000
LogP: 1.62770
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Specification

The 2-Pyridinamine,N-methyl-3-nitro- is an organic compound with the formula C6H7N3O2. The systematic name of this chemical is N-methyl-3-nitropyridin-2-amine. With the CAS registry number 4093-88-3, it is also named as 2-(Methylamino)-3-nitropyridine.

Physical properties about 2-Pyridinamine,N-methyl-3-nitro- are: (1)ACD/LogP: 1.76; (2)ACD/LogD (pH 5.5): 1.76; (3)ACD/LogD (pH 7.4): 1.76; (4)ACD/BCF (pH 5.5): 12.85; (5)ACD/BCF (pH 7.4): 12.89; (6)ACD/KOC (pH 5.5): 216.23; (7)ACD/KOC (pH 7.4): 216.95; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 61.95 Å2; (12)Index of Refraction: 1.629; (13)Molar Refractivity: 40.49 cm3; (14)Molar Volume: 113.9 cm3; (15)Polarizability: 16.05×10-24cm3; (16)Surface Tension: 58.9 dyne/cm; (17)Density: 1.343 g/cm3; (18)Flash Point: 127.6 °C; (19)Enthalpy of Vaporization: 52.65 kJ/mol; (20)Boiling Point: 287.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0025 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccnc1NC
(2)InChI: InChI=1/C6H7N3O2/c1-7-6-5(9(10)11)3-2-4-8-6/h2-4H,1H3,(H,7,8)
(3)InChIKey: SILGRKFIVIVPKA-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C6H7N3O2/c1-7-6-5(9(10)11)3-2-4-8-6/h2-4H,1H3,(H,7,8)
(5)Std. InChIKey: SILGRKFIVIVPKA-UHFFFAOYSA-N