Propyl 6-aminopyridazine-3-carboxylate supplier

Name
Propyl 6-aminopyridazine-3-carboxylate
EINECS 200-001-2
CAS No. 98594-47-9
Density 1.215g/cm³
Solubility
Melting Point 141-142 °C
Formula C₈H₁₁N₃O₂
Boiling Point 417.464 °C at 760 mmHg
Molecular Weight 181.19184
Flash Point 206.275 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms QC-5787
PSA 78.10000
LogP 1.20680

Propyl 6-aminopyridazine-3-carboxylate Specification

The Propyl 6-aminopyridazine-3-carboxylate, with CAS registry number 98594-47-9, has the systematic name of propyl 6-aminopyridazine-3-carboxylate. Besides this, it is also called 3-pyridazinecarboxylic acid, 6-amino-, propyl ester.And the chemical formula of this chemical is C₈H₁₁N₃O₂.

Physical properties of Propyl 6-aminopyridazine-3-carboxylate: (1)ACD/LogP: 0.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 8; (6)ACD/BCF (pH 7.4): 8; (7)ACD/KOC (pH 5.5): 154; (8)ACD/KOC (pH 7.4): 154; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 78.1 Å²; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 47.71 cm³; (15)Molar Volume: 149.067 cm³; (16)Polarizability: 18.914×10^-24cm³; (17)Surface Tension: 54.93 dyne/cm; (18)Enthalpy of Vaporization: 67.086 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Nc1ccc(nn1)C(=O)OCCC
(2)InChI: InChI=1/C8H11N3O2/c1-2-5-13-8(12)6-3-4-7(9)11-10-6/h3-4H,2,5H2,1H3,(H2,9,11)
(3)InChIKey: SQGFVDKTRNTRDL-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C8H11N3O2/c1-2-5-13-8(12)6-3-4-7(9)11-10-6/h3-4H,2,5H2,1H3,(H2,9,11)
(5)Std. InChIKey: SQGFVDKTRNTRDL-UHFFFAOYSA-N

Product Name

Propyl 6-aminopyridazine-3-carboxylate

Propyl 6-aminopyridazine-3-carboxylate Specification

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