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CAS No.: | 21579-37-3 |
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Name: | 5-AMINO-PYRIDAZINE-4-CARBOXYLIC ACID |
Molecular Structure: | |
Formula: | C5H5N3O2 |
Molecular Weight: | 139.114 |
Synonyms: | 4-Pyridazinecarboxylicacid,5-amino-(8CI,9CI); |
Density: | 1.534 g/cm3 |
Boiling Point: | 470.486 °C at 760 mmHg |
Flash Point: | 238.342 °C |
PSA: | 89.10000 |
LogP: | 0.33820 |
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The 4-Pyridazinecarboxylicacid, 5-amino-, with the CAS registry number of 21579-37-3, is also known as 4-Pyridazinecarboxylicacid,5-amino-(8CI,9CI). It belongs to the product category of Aminoacid. This chemical's molecular formula is C5H5N3O2 and molecular weight is 139.11. What's more, its systematic name is 5-Aminopyridazine-4-carboxylic acid.
Physical properties about the 4-Pyridazinecarboxylicacid, 5-amino- are: (1)ACD/LogP: 0.50; (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): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 89.1 Å2; (11)Index of Refraction: 1.663; (12)Molar Refractivity: 33.602 cm3; (13)Molar Volume: 90.691 cm3; (14)Surface Tension: 95.532 dyne/cm; (15)Density: 1.534 g/cm3; (16)Flash Point: 238.342 °C; (17)Enthalpy of Vaporization: 77.228 kJ/mol; (18)Boiling Point: 470.486 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Nc1cnncc1C(=O)O
(2) InChI: InChI=1/C5H5N3O2/c6-4-2-8-7-1-3(4)5(9)10/h1-2H,(H2,6,7)(H,9,10)
(3) InChIKey: AKPRYFURIIOSPV-UHFFFAOYAH