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Basic Information
CAS No.: 26820-65-5
Name: N-Ethyl-3-Nitro-2-Pyridinamine
Article Data: 11
Molecular Structure:
Molecular Structure of 26820-65-5 (N-Ethyl-3-Nitro-2-Pyridinamine)
Formula: C7H9N3O2
Molecular Weight: 167.16
Synonyms: Pyridine,2-(ethylamino)-3-nitro- (8CI);2-Ethylamino-3-nitropyridine;
Density: 1.281 g/cm3
Boiling Point: 298.572 °C at 760 mmHg
Flash Point: 134.372 °C
PSA: 70.74000
LogP: 2.01780
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Specification

The 2-Pyridinamine,N-ethyl-3-nitro-, with the CAS registry number 26820-65-5, is also known as N-Ethyl-3-Nitro-2-Pyridinamine. This chemical's molecular formula is C7H9N3O2 and molecular weight is 167.16. What's more, its systematic name is N-ethyl-3-nitropyridin-2-amine.

Physical properties of 2-Pyridinamine,N-ethyl-3-nitro- are: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/BCF (pH 5.5): 32; (5)ACD/BCF (pH 7.4): 33; (6)ACD/KOC (pH 5.5): 410; (7)ACD/KOC (pH 7.4): 422; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 70.74 Å2; (12)Index of Refraction: 1.608; (13)Molar Refractivity: 45.132 cm3; (14)Molar Volume: 130.462 cm3; (15)Surface Tension: 55.184 dyne/cm; (16)Density: 1.281 g/cm3; (17)Flash Point: 134.372 °C; (18)Enthalpy of Vaporization: 53.85 kJ/mol; (19)Boiling Point: 298.572 °C at 760 mmHg; (20)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCNc1ncccc1[N+]([O-])=O
(2)InChI: InChI=1S/C7H9N3O2/c1-2-8-7-6(10(11)12)4-3-5-9-7/h3-5H,2H2,1H3,(H,8,9)
(3)InChIKey: DDBQQNCEHLMYGB-UHFFFAOYSA-N