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35691-30-6

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Basic Information
CAS No.: 35691-30-6
Name: DIETHYL 1,2,3,6-TETRAHYDROPYRIDAZINE-1,2-DICARBOXYLATE
Article Data: 12
Molecular Structure:
Molecular Structure of 35691-30-6 (DIETHYL 1,2,3,6-TETRAHYDROPYRIDAZINE-1,2-DICARBOXYLATE)
Formula: C10H16N2O4
Molecular Weight: 228.248
Synonyms: 1,2-Pyridazinedicarboxylicacid, 3,6-dihydro-, diethyl ester (6CI,7CI,9CI);Diethyl 1,2,3,6-tetrahydropyrazine-1,2-carboxylate;NSC 134994;
Density: 1.2 g/cm3
Boiling Point: 288.3 °C at 760 mmHg
Flash Point: 128.2 °C
Hazard Symbols: R36/37/38:Irritating to eyes, respiratory system and skin.;
Risk Codes:  Xi:Irritant;
">  Xi:Irritant;
PSA: 59.08000
LogP: 1.26400
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    Product Name: DIETHYL 1,2,3,6-TETRAHYDROPYRIDAZINE-1,2-DICARBOXYLATE Synonyms: DIETHYL 1,2,3,6-TETRAHYDROPYRIDAZINE-1,2-DICARBOXYLATE;BUTTPARK 94\04-73;diethyl 3,6-dihydropyridazine-1,2-dicarboxylate CAS: 35691-30-6 MF: C10H16N2O4 MW: 228.25 E

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Specification

The 1,2-Pyridazinedicarboxylicacid, 3,6-dihydro-, 1,2-diethyl ester, with the CAS registry number 35691-30-6, is also known as Diethyl 1,2,3,6-tetrahydropyridazine-1,2-dicarboxylate. This chemical's molecular formula is C10H16N2O4 and molecular weight is 228.25. What's more, its systematic name is diethyl 3,6-dihydropyridazine-1,2-dicarboxylate. 

Physical properties of 1,2-Pyridazinedicarboxylicacid, 3,6-dihydro-, 1,2-diethyl ester are: (1)ACD/LogP: 0.39; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 6; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 59.08 Å2; (7)Index of Refraction: 1.504; (8)Molar Refractivity: 56.35 cm3; (9)Molar Volume: 190.1 cm3; (10)Polarizability: 22.33×10-24 cm3; (11)Surface Tension: 44.9 dyne/cm; (12)Density: 1.2 g/cm3; (13)Flash Point: 128.2 °C; (14)Enthalpy of Vaporization: 52.75 kJ/mol; (15)Boiling Point: 288.3 °C at 760 mmHg; (16)Vapour Pressure: 0.00236 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: O=C(OCC)N1N(C(=O)OCC)C\C=C/C1
(2)InChI: InChI=1/C10H16N2O4/c1-3-15-9(13)11-7-5-6-8-12(11)10(14)16-4-2/h5-6H,3-4,7-8H2,1-2H3
(3)InChIKey: QJTXVDDNYXLLDA-UHFFFAOYAK