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CAS No.: | 4487-50-7 |
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Name: | 4-NITRO-PYRIDIN-2-YLAMINE |
Molecular Structure: | |
Formula: | C5H5N3O2 |
Molecular Weight: | 139.114 |
Synonyms: | 4-Nitropyridin-2-amine;4-Nitro-2-pyridylamine;AC1MC7E6;AC1Q52W9; |
Density: | 1.437 g/cm3 |
Melting Point: | 96 °C |
Boiling Point: | 339 °C at 760 mmHg |
Flash Point: | 158.8 °C |
Hazard Symbols: | Xi |
Safety: | 22-24/25 |
PSA: | 84.73000 |
LogP: | 1.67640 |
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The 2-Amino-4-nitropyridine with CAS registry number of 4487-50-7 is also known as 2-Pyridinamine,4-nitro-. The IUPAC name is 4-Nitropyridin-2-amine. It belongs to product categories of Nitro; Pharmacetical; Pyridine; Pyridines. In addition, the formula is C5H5N3O2 and the molecular weight is 139.11. This chemical may cause inflammation to the skin or other mucous membranes. During using it, do not breathe dust avoid contact with skin and eyes.
Physical properties about 2-Amino-4-nitropyridine are: (1)ACD/LogP: 0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 2.92; (6)ACD/BCF (pH 7.4): 2.95; (7)ACD/KOC (pH 5.5): 74.84; (8)ACD/KOC (pH 7.4): 75.47; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.645; (13)Molar Refractivity: 35.12 cm3; (14)Molar Volume: 96.7 cm3; (15)Surface Tension: 72.8 dyne/cm; (16)Density: 1.437 g/cm3; (17)Flash Point: 158.8 °C; (18)Enthalpy of Vaporization: 58.24 kJ/mol; (19)Boiling Point: 339 °C at 760 mmHg; (20)Vapour Pressure: 9.49E-05 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
1. SMILES:O=[N+]([O-])c1ccnc(N)c1
2. InChI:InChI=1/C5H5N3O2/c6-5-3-4(8(9)10)1-2-7-5/h1-3H,(H2,6,7)
3. InChIKey:DBDHHHBAZZYVJG-UHFFFAOYAE
4. Std. InChI:InChI=1S/C5H5N3O2/c6-5-3-4(8(9)10)1-2-7-5/h1-3H,(H2,6,7)
5. Std. InChIKey:DBDHHHBAZZYVJG-UHFFFAOYSA-N