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CAS No.: | 438554-27-9 |
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Name: | 3-Nitro-N-propylpyridin-4-amine |
Molecular Structure: | |
Formula: | C8H11N3O2 |
Molecular Weight: | 181.194 |
Synonyms: | 3-nitro-N-propylpyridin-4-amine |
Density: | 1.233 g/cm3 |
Boiling Point: | 320.951 °C at 760 mmHg |
Flash Point: | 147.906 °C |
PSA: | 70.74000 |
LogP: | 2.40790 |
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This chemical's CAS registry number is 438554-27-9. Its molecular formula is C8H11N3O2 and molecular weight is 181.1918. What's more, both the product name and systematic name are the same which is called 3-Nitro-N-propylpyridin-4-amine.
Physical properties about 3-Nitro-N-propylpyridin-4-amine are: (1)ACD/LogP: 1.24; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 14; (6)ACD/BCF (pH 7.4): 15; (7)ACD/KOC (pH 5.5): 232; (8)ACD/KOC (pH 7.4): 244; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 70.74 Å2; (13)Index of Refraction: 1.592; (14)Molar Refractivity: 49.765 cm3; (15)Molar Volume: 146.969 cm3; (16)Polarizability: 19.728×10-24 cm3; (17)Surface Tension: 52.371 dyne/cm; (18)Density: 1.233 g/cm3; (19)Flash Point: 147.906 °C; (20)Enthalpy of Vaporization: 56.267 kJ/mol; (21)Boiling Point: 320.951 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=N(=O)c1cnccc1NCCC
(2) InChI: InChI=1/C8H11N3O2/c1-2-4-10-7-3-5-9-6-8(7)11(12)13/h3,5-6H,2,4H2,1H3,(H,9,10)
(3) InChIKey: WSXFBFCVDNKQEN-UHFFFAOYAF