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26820-67-7

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Basic Information
CAS No.: 26820-67-7
Name: N-isopropyl-3-nitropyridin-2-amine
Article Data: 4
Molecular Structure:
Molecular Structure of 26820-67-7 (N-isopropyl-3-nitropyridin-2-amine)
Formula: C8H11N3O2
Molecular Weight: 181.194
Synonyms: Pyridine,2-(isopropylamino)-3-nitro- (8CI);3-Nitro-N-(propan-2-yl)pyridin-2-amine;N-Isopropyl-3-nitropyridin-2-amine;(Methylethyl)(3-nitro(2-pyridyl))amine;
Density: 1.23 g/cm3
Boiling Point: 303.183 °C at 760 mmHg
Flash Point: 137.161 °C
PSA: 70.74000
LogP: 2.40630
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Specification

The 2-Pyridinamine,N-(1-methylethyl)-3-nitro-, with the CAS registry number 26820-67-7, is also known as N-Isopropyl-3-nitropyridin-2-amine. This chemical's molecular formula is C8H11N3O2 and molecular weight is 181.19. What's more, its systematic name is 3-nitro-N-(propan-2-yl)pyridin-2-amine.

Physical properties of 2-Pyridinamine,N-(1-methylethyl)-3-nitro- are: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/BCF (pH 5.5): 60; (5)ACD/KOC (pH 5.5): 652; (6)#H bond acceptors: 5; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 2; (9)Polar Surface Area: 70.74 Å2; (10)Index of Refraction: 1.59; (11)Molar Refractivity: 49.723 cm3; (12)Molar Volume: 147.345 cm3; (13)Polarizability: 19.712×10-24cm3; (14)Surface Tension: 50.479 dyne/cm; (15)Density: 1.23 g/cm3; (16)Flash Point: 137.161 °C; (17)Enthalpy of Vaporization: 54.345 kJ/mol; (18)Boiling Point: 303.183 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)Nc1ncccc1[N+]([O-])=O
(2)InChI: InChI=1S/C8H11N3O2/c1-6(2)10-8-7(11(12)13)4-3-5-9-8/h3-6H,1-2H3,(H,9,10)
(3)InChIKey: FIFYOMWPOMVFAZ-UHFFFAOYSA-N