4-Methyl-7-nitroindoline - ≥95% , CAS No.179176-31-9

CAS: 179176-31-9 Cat. No.: M191625 Formula: C₉H₁₀N₂O₂ Peso molecolare: 178.19 PubChem CID: 19962038

GRADE & PURITY ≥95%

Synonyms

C73408 | A881272 | 1H-Indole, 2,3-dihydro-4-methyl-7-nitro- | DTXSID20601497 | SCHEMBL8824044 | SB66194 | DS-3027 | AKOS022173595 | MFCD26743712 | 4-Methyl-7-nitroindoline | 4-methyl-7-nitro-2,3-dihydro-1H-indole

Storage

Room temperature

Shipped In

Normal

Specifications

Sinonimi

C73408 | A881272 | 1H-Indole, 2,3-dihydro-4-methyl-7-nitro- | DTXSID20601497 | SCHEMBL8824044 | SB66194 | DS-3027 | AKOS022173595 | MFCD26743712 | 4-Methyl-7-nitroindoline | 4-methyl-7-nitro-2,3-dihydro-1H-indole

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥95%

Nomi e identificatori

• Sorrisi canonici: CC1=C2CCNC2=C(C=C1)[N+](=O)[O-]
• IUPAC Name: 4-methyl-7-nitro-2,3-dihydro-1H-indole
• InChIKey: SCFZFJRSCMUKHY-UHFFFAOYSA-N
• INCHI: 1S/C9H10N2O2/c1-6-2-3-8(11(12)13)9-7(6)4-5-10-9/h2-3,10H,4-5H2,1H3
• Isomeri SMILES: CC1=C2CCNC2=C(C=C1)[N+](=O)[O-]
• PubChem CID: 19962038
• Peso molecolare: 178.19

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 Secondary alkylarylamines Aralkylamines Benzenoids Propargyl-type 1,3-dipolar organic compounds Organic oxoazanium compounds Azacyclic compounds Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Nitroaromatic compound - Secondary aliphatic/aromatic amine - Aralkylamine - Benzenoid - C-nitro compound - Organic nitro compound - Organic oxoazanium - Secondary amine - Allyl-type 1,3-dipolar organic compound - Propargyl-type 1,3-dipolar organic compound - Organic 1,3-dipolar compound - Azacycle - Organic zwitterion - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Amine - Organic salt - Organonitrogen compound - Aromatic heteropolycyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Peso molecolare: 178.190 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 178.074 Da
• Monoisotopic Mass: 178.074 Da
• Topological Polar Surface Area: 57.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 214.000
• 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

Domande frequenti

What is the purity of this product?

This product is supplied at ≥95% 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 179176-31-9, the molecular formula is C9H10N2O2, and the molecular weight is 178.19 g/mol. InChIKey SCFZFJRSCMUKHY-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.