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| CAS No.: | 934-59-8 |
|---|---|
| Name: | 5-NITRO-PYRIDIN-3-YLAMINE |
| Molecular Structure: | |
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| Formula: | C5H5N3O2 |
| Molecular Weight: | 139.114 |
| Synonyms: | Pyridine,3-amino-5-nitro- (6CI,7CI,8CI);3-Amino-5-nitropyridine;5-nitropyridin-3-amine;3-Pyridinamine, 5-nitro-;5-Nitropyridin-3-amine; |
| Density: | 1.437 g/cm3 |
| Melting Point: | 162 °C |
| Boiling Point: | 367.7 °C at 760 mmHg |
| Flash Point: | 176.2 °C |
| PSA: | 84.73000 |
| LogP: | 1.67640 |
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Specification
The 3-Pyridinamine,5-nitro-, with the CAS registry number 934-59-8, has the systematic name of 5-nitropyridin-3-amine. It belongs to the category of Pyridings. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C5H5N3O2.
The characteristics of 3-Pyridinamine,5-nitro- are as followings: (1)ACD/LogP: 0.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.52; (4)ACD/LogD (pH 7.4): 0.52; (5)ACD/BCF (pH 5.5): 1.47; (6)ACD/BCF (pH 7.4): 1.47; (7)ACD/KOC (pH 5.5): 45.9; (8)ACD/KOC (pH 7.4): 45.92; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 61.95 Å2; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 35.12 cm3; (15)Molar Volume: 96.7 cm3; (16)Polarizability: 13.92×10-24cm3; (17)Surface Tension: 72.8 dyne/cm; (18)Density: 1.437 g/cm3; (19)Flash Point: 176.2 °C; (20)Enthalpy of Vaporization: 61.43 kJ/mol; (21)Boiling Point: 367.7 °C at 760 mmHg; (22)Vapour Pressure: 1.34E-05 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=[N+]([O-])c1cncc(N)c1
(2)InChI: InChI=1/C5H5N3O2/c6-4-1-5(8(9)10)3-7-2-4/h1-3H,6H2
(3)InChIKey: YRWMMPVSSQFMRQ-UHFFFAOYAW