3-Amino-5-[(methylamino)carbonyl]benzoic acid
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![3-Amino-5-[(methylamino)carbonyl]benzoic acid structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/6ec1347dde0142beb11cb2fa63f949b5.png "3-Amino-5-[(methylamino)carbonyl]benzoic acid")
3-Amino-5-[(methylamino)carbonyl]benzoic acid
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CAS No:
1954-96-7
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Formula:
C9H10N2O3
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Chemical Name:
3-Amino-5-[(methylamino)carbonyl]benzoic acid
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Synonyms:
Benzoic acid,3-amino-5-[(methylamino)carbonyl]-;Isophthalamic acid,5-amino-N-methyl-;3-Amino-5-[(methylamino)carbonyl]benzoic acid;5-Amino-N-methylisophthalamic acid
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CAS No:
3-Amino-5-[(methylamino)carbonyl]benzoic acid Basic Attributes
194.19
194.19
217-787-3
DTXSID90173212
2924299090
Safety Information
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
3-Amino-5-[(methylamino)carbonyl]benzoic acid Use and Manufacturing
Nitrate with isophthalic acid (isophthalic acid) with fuming nitric acid to produce 5-nitroisophthalic acid, then esterify with methanol under sulfuric acid catalysis, and partially decompose with sodium hydroxide to obtain 5-nitroisophthalic acid Monosodium acid monomethyl ester, the latter is aminated with methylamine and reduced to the nitro group.
Intermediate for different panning (new panning).
Computed Properties
Molecular Weight:194.19
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:194.06914219
Monoisotopic Mass:194.06914219
Topological Polar Surface Area:92.4
Heavy Atom Count:14
Complexity:242
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-Amino-5-[(methylamino)carbonyl]benzoic acid
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