Benzenesulfonic acid, 4-[4-[3-[4-(dimethylamino)phenyl]-2-propen-1-ylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, compd. with N,N-diethylethanamine (1:1)
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![Benzenesulfonic acid, 4-[4-[3-[4-(dimethylamino)phenyl]-2-propen-1-ylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, compd. with N,N-diethylethanamine (1:1) structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/f53631ce2e0042adbde5b56790a8e1d0.png "Benzenesulfonic acid, 4-[4-[3-[4-(dimethylamino)phenyl]-2-propen-1-ylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, compd. with N,N-diethylethanamine (1:1)")
Benzenesulfonic acid, 4-[4-[3-[4-(dimethylamino)phenyl]-2-propen-1-ylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, compd. with N,N-diethylethanamine (1:1)
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CAS No:
109940-17-2
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Formula:
C21H21N3O4S.C6H15N
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Chemical Name:
Benzenesulfonic acid, 4-[4-[3-[4-(dimethylamino)phenyl]-2-propen-1-ylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, compd. with N,N-diethylethanamine (1:1)
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Synonyms:
Benzenesulfonic acid,4-[4-[3-[4-(dimethylamino)phenyl]-2-propen-1-ylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-,compd. with N,N-diethylethanamine (1:1);Benzenesulfonic acid,4-[4-[3-[4-(dimethylamino)phenyl]-2-propenylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-,compd. with N,N-diethylethanamine (1:1);Acid Violet 520T-PINA;112462-21-2
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CAS No:
Benzenesulfonic acid, 4-[4-[3-[4-(dimethylamino)phenyl]-2-propen-1-ylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, compd. with N,N-diethylethanamine (1:1) Basic Attributes
512.669
512.246
403-560-8
DTXSID90723635
Safety Information
|H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]|P273, P391, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Computed Properties
Molecular Weight:512.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:512.24572682
Monoisotopic Mass:512.24572682
Topological Polar Surface Area:102
Heavy Atom Count:36
Complexity:820
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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Benzenesulfonic acid, 4-[4-[3-[4-(dimethylamino)phenyl]-2-propen-1-ylidene]-4,5-dihydro-3-methyl-5-oxo-1H-pyrazol-1-yl]-, compd. with N,N-diethylethanamine (1:1)
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