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CAS No.: | 98140-96-6 |
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Name: | 3-Pyridazinecarboxylicacid,6-amino-,methylester(6CI,9CI) |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C6H7N3O2 |
Molecular Weight: | 153.14 |
Synonyms: | Methyl 6-amino-3-pyridazinecarboxylate; |
Density: | 1.319 g/cm3 |
Melting Point: | 200-201℃ |
Boiling Point: | 422.068 °C at 760 mmHg |
Flash Point: | 209.06 °C |
PSA: | 78.10000 |
LogP: | 0.42660 |
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The 3-Pyridazinecarboxylicacid, 6-amino-, methyl ester, with the CAS registry number 98140-96-6, is also known as Methyl 6-amino-3-pyridazinecarboxylate. It belongs to the product categories of Carboxylicester; Glycinescaffold. This chemical's molecular formula is C6H7N3O2 and molecular weight is 153.14. What's more, its IUPAC name is called Methyl 6-aminopyridazine-3-carboxylate.
Physical properties about 3-Pyridazinecarboxylicacid, 6-amino-, methyl ester are: (1)ACD/LogP: 0.428; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.43; (4)ACD/LogD (pH 7.4): 0.43; (5)ACD/BCF (pH 5.5): 1.24; (6)ACD/BCF (pH 7.4): 1.25; (7)ACD/KOC (pH 5.5): 40.43; (8)ACD/KOC (pH 7.4): 40.72; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 78.1 Å2; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 38.445 cm3; (15)Molar Volume: 116.054 cm3; (16)Polarizability: 15.241×10-24cm3; (17)Surface Tension: 62.46 dyne/cm; (18)Density: 1.32 g/cm3; (19)Flash Point: 209.06 °C; (20)Enthalpy of Vaporization: 67.618 kJ/mol; (21)Boiling Point: 422.068 °C at 760 mmHg; (22) Vapour Pressure: 0 mmHg at 25 °C.
Uses of 3-Pyridazinecarboxylicacid, 6-amino-, methyl ester: it is used to produce other chemicals. For example, it can react with 1-bromo-3,3-dimethyl-butan-2-one to get 2-tert-butyl-imidazo[1,2-b]pyridazine-6-carboxylic acid methyl ester. This reaction needs solvent dimethylformamide at temperature of 100 °C. The reaction time is 5 hours. The yield is 90 %.
You can still convert the following datas into molecular structure:
(1) SMILES: Nc1ccc(nn1)C(=O)OC
(2) InChI: InChI=1S/C6H7N3O2/c1-11-6(10)4-2-3-5(7)9-8-4/h2-3H,1H3,(H2,7,9)
(3) InChIKey: UVTBEJGKSJOOIF-UHFFFAOYSA-N