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CAS No.: | 19404-40-1 |
---|---|
Name: | 2-Pyridinamine,N-methyl-3,5-dinitro-(9CI) |
Molecular Structure: | |
Formula: | C6H6N4O4 |
Molecular Weight: | 198.1362 |
Synonyms: | (3,5-Dinitro-pyridin-2-yl)-methyl-amine; |
Density: | 1.575 g/cm3 |
Boiling Point: | 353.3 °C at 760 mmHg |
Flash Point: | 167.5 °C |
PSA: | 116.56000 |
LogP: | 2.05910 |
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The 2-Pyridinamine,N-methyl-3,5-dinitro-, with the CAS registry number 19404-40-1, is also known as (3,5-Dinitro-pyridin-2-yl)-methyl-amine. It belongs to the product category of Pyridine. This chemical's molecular formula is C6H6N4O4 and molecular weight is 198.1362. What's more, its systematic name is N-Methyl-3,5-dinitropyridin-2-amine.
Physical properties about 2-Pyridinamine,N-methyl-3,5-dinitro- are: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.26; (4)ACD/LogD (pH 7.4): 2.26; (5)ACD/BCF (pH 5.5): 30.47; (6)ACD/BCF (pH 7.4): 30.47; (7)ACD/KOC (pH 5.5): 401.57; (8)ACD/KOC (pH 7.4): 401.57; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 107.77 Å2; (13)Index of Refraction: 1.67; (14)Molar Refractivity: 47.04 cm3; (15)Molar Volume: 125.7 cm3; (16)Polarizability: 18.64×10-24 cm3; (17)Surface Tension: 75.8 dyne/cm; (18)Density: 1.575 g/cm3; (19)Flash Point: 167.5 °C; (20)Enthalpy of Vaporization: 59.82 kJ/mol; (21)Boiling Point: 353.3 °C at 760 mmHg; (22)Vapour Pressure: 3.61E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cnc(NC)c([N+]([O-])=O)c1
(2) InChI: InChI=1/C6H6N4O4/c1-7-6-5(10(13)14)2-4(3-8-6)9(11)12/h2-3H,1H3,(H,7,8)
(3) InChIKey: YWRUAYGJVVNKFK-UHFFFAOYAZ