N-Methylisatoic Anhydride - ≥98% , CAS No.10328-92-4

CAS: 10328-92-4 Cat. No.: N158918 Molecular Weight: 177.16 Beilstein Registry Number: 27(2)299 EC Number: 233-714-8

GRADE & PURITY ≥98%

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

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

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

≥98%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488182953
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488182953
• Canonical Smiles: CN1C2=CC=CC=C2C(=O)OC1=O
• IUPAC Name: 1-methyl-3,1-benzoxazine-2,4-dione
• InChIKey: KJMRWDHBVCNLTQ-UHFFFAOYSA-N
• INCHI: 1S/C9H7NO3/c1-10-7-5-3-2-4-6(7)8(11)13-9(10)12/h2-5H,1H3
• 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=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Benzoxazines

• 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.

DOI: 10.1186/s13321-016-0174-y

Associated Targets(Human)

SMPD1 Tchem Sphingomyelin phosphodiesterase (13561 Activities)

Discover Target: SMPD1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GNAS Tbio Guanine nucleotide-binding protein G(s), subunit alpha (103405 Activities)

Discover Target: GNAS

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

Trypanosoma brucei brucei (13300 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Acetone
• Sensitivity: Moisture sensitive.
• 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

References

1. You Liu, Zhicai Nong, Mengyang Li, Pei Chen, Weijuan Huang.  (2025)  The effect of particle size and molecular structure of starch-based crosslinkers on self-healing behavior of hydrogel.  FOOD CHEMISTRY,      [PMID:40840386] [10.1016/j.foodchem.2025.145922]