5-Nitroindoline - ≥97% , CAS No.32692-19-6

CAS: 32692-19-6 Cat. No.: N138675 Molecular Weight: 164.16 EC Number: 251-158-4

GRADE & PURITY ≥97%

Synonyms

AKOS001200764 | MLS002693330 | SCHEMBL200716 | BP-12507 | SY009291 | DTXSID00186358 | SMR001559287 | SR-01000400079 | 2,3-dihydro-5-nitro-(1h)-indole | EN300-23647 | HMS559C20 | PS-6052 | BCP28095 | 5-Nitroindoline, 97% | HMS3088A19 | MFF83KNW93 | A5843 |

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

5-Nitroindoline was used to prepare acetylated glucosylamines using the Suvorov procedure

Specifications

Synonyms

AKOS001200764 | MLS002693330 | SCHEMBL200716 | BP-12507 | SY009291 | DTXSID00186358 | SMR001559287 | SR-01000400079 | 2, 3-dihydro-5-nitro-(1h)-indole | EN300-23647 | HMS559C20 | PS-6052 | BCP28095 | 5-Nitroindoline, 97% | HMS3088A19 | MFF83KNW93 | A5843 |

Specifications & Purity

≥97%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504753546
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753546
• Canonical Smiles: C1CNC2=C1C=C(C=C2)[N+](=O)[O-]
• IUPAC Name: 5-nitro-2,3-dihydro-1H-indole
• InChIKey: WJQWYAJTPPYORB-UHFFFAOYSA-N
• INCHI: 1S/C8H8N2O2/c11-10(12)7-1-2-8-6(5-7)3-4-9-8/h1-2,5,9H,3-4H2
• Isomeric SMILES: C1CNC2=C1C=C(C=C2)[N+](=O)[O-]
• WGK Germany: 3
• RTECS: NM1930000
• Molecular Weight: 164.16
• Reaxy-Rn: 156653
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=156653&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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 Organopnictogen compounds Organic zwitterions 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 - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Allyl-type 1,3-dipolar organic compound - Amine - Organic zwitterion - Hydrocarbon derivative - Organic oxide - Organonitrogen compound - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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

Associated Targets(non-human)

Salmonella typhimurium (15756 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

• Melt Point(°C): 92-94°C
• Molecular Weight: 164.160 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 164.059 Da
• Monoisotopic Mass: 164.059 Da
• Topological Polar Surface Area: 57.900 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 190.000
• 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