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| CAS No.: | 20865-29-6 |
|---|---|
| Name: | 4-AMINO-PYRIDAZINE-3-CARBOXYLIC ACID |
| Molecular Structure: | |
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| Formula: | C5H5N3O2 |
| Molecular Weight: | 139.11 |
| Synonyms: | 4-aminopyridazine-3-carboxylic acid;3-Pyridazinecarboxylic acid, 4-amino-; |
| Density: | 1.533 g/cm3 |
| Boiling Point: | 470.5 °C at 760 mmHg |
| Flash Point: | 238.3 °C |
| PSA: | 89.10000 |
| LogP: | 0.33820 |
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Specification
The 4-Aminopyridazine-3-carboxylic acid, with the CAS registry number 20865-29-6, is also called 4-Aminopyridazine-3-carboxylic acid. It belongs to the product category of Aminoacid. And the molecular formula of the chemical is C5H5N3O2.
The characteristics of 4-Aminopyridazine-3-carboxylic acid are as followings: (1)ACD/LogP: -0.26; (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: 55.32 Å2; (11)Index of Refraction: 1.663; (12)Molar Refractivity: 33.6 cm3; (13)Molar Volume: 90.6 cm3; (14)Polarizability: 13.32×10-24cm3; (15)Surface Tension: 95.5 dyne/cm; (16)Density: 1.533 g/cm3; (17)Flash Point: 238.3 °C; (18)Enthalpy of Vaporization: 77.23 kJ/mol; (19)Boiling Point: 470.5 °C at 760 mmHg; (20)Vapour Pressure: 1.18E-09 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)c1nnccc1N
(2)InChI: InChI=1/C5H5N3O2/c6-3-1-2-7-8-4(3)5(9)10/h1-2H,(H2,6,7)(H,9,10)
(3)InChIKey: IYLFGIFKHIUQSL-UHFFFAOYAQ