Methanaminium, N,N,N-trimethyl-, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazole-3-carboxylate (3:1)
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![Methanaminium, N,N,N-trimethyl-, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazole-3-carboxylate (3:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220811/26a367e66d354e3d83a7714c8e4deebd.png "Methanaminium, N,N,N-trimethyl-, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazole-3-carboxylate (3:1)")
Methanaminium, N,N,N-trimethyl-, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazole-3-carboxylate (3:1)
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CAS No:
131013-81-5
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Formula:
C16H9N4O9S2.3C4H12N
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Chemical Name:
Methanaminium, N,N,N-trimethyl-, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazole-3-carboxylate (3:1)
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Synonyms:
Methanaminium,N,N,N-trimethyl-,4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazole-3-carboxylate (3:1);Methanaminium,N,N,N-trimethyl-,salt with 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-1H-pyrazole-3-carboxylic acid (3:1);1H-Pyrazole-3-carboxylic acid,4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[(4-sulfophenyl)azo]-,ion(3-),tris(N,N,N-trimethylmethanaminium)
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CAS No:
Methanaminium, N,N,N-trimethyl-, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazole-3-carboxylate (3:1) Basic Attributes
690.9 g/mol
690.29549348 g/mol
406-073-9
Safety Information
|Danger|H301: Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P273, P301+P310, P321, P330, P405, and P501|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|Aggregated GHS information provided by 36 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Methanaminium, N,N,N-trimethyl-, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazole-3-carboxylate (3:1) Use and Manufacturing
Methanaminium, N,N,N-trimethyl-, 4,5-dihydro-5-oxo-1-(4-sulfophenyl)-4-[2-(4-sulfophenyl)diazenyl]-1H-pyrazole-3-carboxylate (3:1): ACTIVE|PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
Computed Properties
Molecular Weight:690.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:12
Rotatable Bond Count:6
Exact Mass:690.29549348
Monoisotopic Mass:690.29549348
Topological Polar Surface Area:220
Heavy Atom Count:46
Formal Charge:3
Complexity:1000
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:4
Compound Is Canonicalized:Yes
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