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CAS No.: | 89033-30-7 |
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Name: | 3(2H)-Pyridazinone,5-amino-(6CI,7CI,9CI) |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C4H5N3O |
Molecular Weight: | 111.103 |
Synonyms: | NSC 114060;5-Ainopyridazin-3(2H)-one;5-Amino-3(2H)-pyridazinone;AC1L6PMW; |
Density: | 1.55 g/cm3 |
Appearance: | White solid |
PSA: | 71.77000 |
LogP: | -0.06670 |
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The 3(2H)-Pyridazinone,5-amino- with CAS registry number of 89033-30-7 is also known as 5-Ainopyridazin-3(2H)-one. The IUPAC name is 4-Aino-1H-pyridazin-6-one. It belongs to product categories of Variousamine; Bases & Related Reagents; Heterocycles; Nucleotides. In addition, the formula is C4H5N3O and the molecular weight is 111.10. This chemical is a white solid that can be used as agrochemical bioregulator.
Physical properties about 3(2H)-Pyridazinone,5-amino- are: (1)ACD/LogP: -1.33; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 4.5; (6)ACD/KOC (pH 7.4): 4.5; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 1; (10)Index of Refraction: 1.688; (11)Molar Refractivity: 27.3 cm3; (12)Molar Volume: 71.5 cm3; (13)Surface Tension: 69.2 dyne/cm; (14)Density: 1.55 g/cm3.
You can still convert the following datas into molecular structure:
1. SMILES:O=C1/C=C(/N)\C=N/N1
2. InChI:InChI=1/C4H5N3O/c5-3-1-4(8)7-6-2-3/h1-2H,(H3,5,7,8)
3. InChIKey:MJSOXUAUMZKRAK-UHFFFAOYAD
4. Std. InChI:InChI=1S/C4H5N3O/c5-3-1-4(8)7-6-2-3/h1-2H,(H3,5,7,8)
5. Std. InChIKey:MJSOXUAUMZKRAK-UHFFFAOYSA-N