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CAS No.: | 340759-46-8 |
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Name: | 3-Pyridazinecarbonitrile,6-amino-(9CI) |
Molecular Structure: | |
Formula: | C5H4N4 |
Molecular Weight: | 120.11 |
Synonyms: | 3-Amino-6-cyanopyridazine;6-Amino-3-pyridazinecarbonitrile;6-Aminopyridazine-3-carbonitrile; |
Density: | 1.34 g/cm3 |
Boiling Point: | 450.6 °C at 760 mmHg |
Flash Point: | 226.3 °C |
PSA: | 75.59000 |
LogP: | 0.51168 |
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The 3-Pyridazinecarbonitrile,6-amino-, with the CAS registry number 340759-46-8, is also known as 3-Amino-6-cyanopyridazine. It belongs to the product categories of Various amine; Pyridazine series. This chemical's molecular formula is C5H4N4 and molecular weight is 120.11. What's more, its systematic name is 6-Aminopyridazine-3-carbonitrile.
Physical properties of 3-Pyridazinecarbonitrile,6-amino- are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/KOC (pH 5.5): 16.87; (4)#H bond acceptors: 4; (5)#H bond donors: 2; (6)#Freely Rotating Bonds: 0; (7)Polar Surface Area: 75.59 Å2; (8)Index of Refraction: 1.6; (9)Molar Refractivity: 30.53 cm3; (10)Molar Volume: 89.2 cm3; (11)Polarizability: 12.1×10-24cm3; (12)Surface Tension: 86.3 dyne/cm; (13)Density: 1.34 g/cm3; (14)Flash Point: 226.3 °C; (15)Enthalpy of Vaporization: 70.95 kJ/mol; (16)Boiling Point: 450.6 °C at 760 mmHg; (17)Vapour Pressure: 2.6E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(nnc1C#N)N
(2)InChI: InChI=1S/C5H4N4/c6-3-4-1-2-5(7)9-8-4/h1-2H,(H2,7,9)
(3)InChIKey: SEQONPDVLWRZSU-UHFFFAOYSA-N