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Methyl 6-aminopyridazine-3-carboxylate

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Name

Methyl 6-aminopyridazine-3-carboxylate

EINECS N/A
CAS No. 98140-96-6 Density 1.319 g/cm3
PSA 78.10000 LogP 0.42660
Solubility N/A Melting Point 200-201℃
Formula C6H7N3O2 Boiling Point 422.068 °C at 760 mmHg
Molecular Weight 153.14 Flash Point 209.06 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 98140-96-6 (3-Pyridazinecarboxylicacid,6-amino-,methylester(6CI,9CI)) Hazard Symbols N/A
Synonyms

Methyl 6-amino-3-pyridazinecarboxylate;

Article Data 2

Methyl 6-aminopyridazine-3-carboxylate Specification

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 %.

3-Pyridazinecarboxylicacid, 6-amino-, methyl ester 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.

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

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