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CAS No.: | 56640-73-4 |
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Name: | 5-Methyl-1-benzalamino-tetrazole |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C9H9N5 |
Molecular Weight: | 187.204 |
Synonyms: | 1-((1E)-2-Phenyl-1-azavinyl)-5-methyl-1,2,3,4-tetraazole;5-Methyl-N-[(E)-phenylmethylidene]-1H-tetrazol-1-amine; |
Density: | 1.255 g/cm3 |
Boiling Point: | 359.9 °C at 760 mmHg |
Flash Point: | 171.462 °C |
PSA: | 55.96000 |
LogP: | 0.86370 |
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The 5-Methyl-1-benzalamino-tetrazole, with the CAS registry number 56640-73-4, is also known as 5-Methyl-N-[(E)-phenylmethylidene]-1H-tetrazol-1-amine. It belongs to the product category of pharmacetical. This chemical's molecular formula is C9H9N5 and molecular weight is 187.20. What's more, its IUPAC name is N-(5-methyltetrazol-1-yl)-1-phenylmethanimine.
Physical properties of 5-Methyl-1-benzalamino-tetrazole are: (1)ACD/LogP: 1.56; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 55.96 Å2; (7)Index of Refraction: 1.657; (8)Molar Refractivity: 54.91 cm3; (9)Molar Volume: 149.208 cm3; (10)Polarizability: 21.768×10-24cm3; (11)Surface Tension: 50.571 dyne/cm; (12)Density: 1.255 g/cm3; (13)Flash Point: 171.462 °C; (14)Enthalpy of Vaporization: 60.555 kJ/mol; (15)Boiling Point: 359.9 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: N(=C/c1ccccc1)\n2nnnc2C
(2)Std. InChI: InChI=1S/C9H9N5/c1-8-11-12-13-14(8)10-7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7+
(3)Std. InChIKey: WPEIMSRVCICHJM-JXMROGBWSA-N