4-methoxy-5-nitro-indoline - ≥97% , CAS No.909556-12-3

CAS: 909556-12-3 Cat. No.: M635074 Formule: C₉H₁₀N₂O₃ Poids moléculaire: 194.19 PubChem CID: 68466066

GRADE & PURITY ≥97%

Synonyms

4-methoxy-5-nitro-indoline | 909556-12-3 | 4-methoxy-5-nitro-2,3-dihydro-1H-indole | 4-methoxy-5nitroindoline | SCHEMBL2983536 | MFCD27932145 | PB43817 | AS-79476 | P19518

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

4-methoxy-5-nitro-indoline | 909556-12-3 | 4-methoxy-5-nitro-2,3-dihydro-1H-indole | 4-methoxy-5nitroindoline | SCHEMBL2983536 | MFCD27932145 | PB43817 | AS-79476 | P19518

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Sourires canoniques: COC1=C(C=CC2=C1CCN2)[N+](=O)[O-]
• IUPAC Name: 4-methoxy-5-nitro-2,3-dihydro-1H-indole
• InChIKey: CXPKRUKASSEDMI-UHFFFAOYSA-N
• INCHI: 1S/C9H10N2O3/c1-14-9-6-4-5-10-7(6)2-3-8(9)11(12)13/h2-3,10H,4-5H2,1H3
• Isomères SMILES: COC1=C(C=CC2=C1CCN2)[N+](=O)[O-]
• PubChem CID: 68466066
• Poids moléculaire: 194.19

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Indoles and derivatives
      • Subclass Indolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Indoles and derivatives
• Subclass: Indolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Indolines
• Alternative Parents: Nitroaromatic compounds Anisoles Secondary alkylarylamines Alkyl aryl ethers Pyrrolines Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Dialkylamines Azacyclic compounds Organopnictogen compounds Organic zwitterions Organic oxoanionic compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Nitroaromatic compound - Anisole - Secondary aliphatic/aromatic amine - Alkyl aryl ether - Benzenoid - Pyrroline - Organic nitro compound - C-nitro compound - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Secondary amine - Organic oxoazanium - Ether - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organic hyponitrite - Amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as indolines. These are compounds containing an indole moiety, which consists of pyrrolidine ring fused to benzene to form 2,3-dihydroindole.
• External Descriptors: Not available

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

Propriétés chimiques et physiques

• Poids moléculaire: 194.190 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 194.069 Da
• Monoisotopic Mass: 194.069 Da
• Topological Polar Surface Area: 67.100 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 229.000
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 909556-12-3, the molecular formula is C9H10N2O3, and the molecular weight is 194.19 g/mol. InChIKey CXPKRUKASSEDMI-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.