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N-Methylisatoic anhydride - technical, 90%, high purity , CAS No.10328-92-4
Basic Description
Synonyms
EINECS 233-714-8 | NMIANMIA | Z104485728 | 1-METHYL-1H-BENZO(D)(1,3)OXAZINE-2,4-DIONE | Methyl-N-carboxyanthranilic anhydride | N-Methyl IA | 1-methyl-3,1-benzoxazine-2,4(1H)-dione | N-Methyl isatoic anhydride | J-523685 | N-Methylisatoic anhydride | F128
Specifications & Purity
technical grade, ≥90%
Grade
technical grade
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzoxazines
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Benzoxazines
Alternative Parents
Benzenoids Vinylogous amides Heteroaromatic compounds Lactones Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benzoxazine - Benzenoid - Heteroaromatic compound - Vinylogous amide - Lactone - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzoxazines. These are organic compounds containing a benzene fused to an oxazine ring (a six-membered aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom).
External Descriptors
benzoxazine
Data sources
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
1-methyl-3,1-benzoxazine-2,4-dione
INCHI
InChI=1S/C9H7NO3/c1-10-7-5-3-2-4-6(7)8(11)13-9(10)12/h2-5H,1H3
InChIKey
KJMRWDHBVCNLTQ-UHFFFAOYSA-N
Smiles
CN1C2=CC=CC=C2C(=O)OC1=O
Isomeric SMILES
CN1C2=CC=CC=C2C(=O)OC1=O
RTECS
DM3140000
Molecular Weight
177.16
Beilstein
27(2)299
Reaxy-Rn
383957
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=383957&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
160°C
Molecular Weight
177.160 g/mol
XLogP3
0.900
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
0
Exact Mass
177.043 Da
Monoisotopic Mass
177.043 Da
Topological Polar Surface Area
46.600 Ų
Heavy Atom Count
13
Formal Charge
0
Complexity
251.000
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
The total count of all stereochemical bonds
0
Covalently-Bonded Unit Count
1
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