5-Amino-2-indolinone - ≥97% , CAS No.20876-36-2

CAS: 20876-36-2 Cat. No.: A124824 Molecular Weight: 148.16 EC Number: 633-807-7

GRADE & PURITY ≥97%

Synonyms

SY031781 | VU0240158-3 | AM844 | FT-0601090 | AC-23420 | EN300-59131 | 5-aminoindolin-2-one | MFCD02179603 | 5-amino oxindole | JPUYXUBUJJDJNL-UHFFFAOYSA-N | PS-3297 | 2-AMINO-3-(3-BENZYL-3H-IMIDAZOL-4-YL)-PROPIONICACID | 5-amino-1,3-dihydro-2H-indol-2-on

Storage

Protected from light,Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

SY031781 | VU0240158-3 | AM844 | FT-0601090 | AC-23420 | EN300-59131 | 5-aminoindolin-2-one | MFCD02179603 | 5-amino oxindole | JPUYXUBUJJDJNL-UHFFFAOYSA-N | PS-3297 | 2-AMINO-3-(3-BENZYL-3H-IMIDAZOL-4-YL)-PROPIONICACID | 5-amino-1, 3-dihydro-2H-indol-2-on

Specifications & Purity

≥97%

Storage

Protected from light, Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488193441
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488193441
• Canonical Smiles: C1C2=C(C=CC(=C2)N)NC1=O
• IUPAC Name: 5-amino-1,3-dihydroindol-2-one
• InChIKey: JPUYXUBUJJDJNL-UHFFFAOYSA-N
• INCHI: 1S/C8H8N2O/c9-6-1-2-7-5(3-6)4-8(11)10-7/h1-3H,4,9H2,(H,10,11)
• Isomeric SMILES: C1C2=C(C=CC(=C2)N)NC1=O
• Alternate CAS: 120266-80-0
• Molecular Weight: 148.16
• Reaxy-Rn: 128617
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=128617&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: Benzenoids Secondary carboxylic acid amides Lactams Amino acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Dihydroindole - Benzenoid - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Primary amine - Organooxygen compound - Organonitrogen compound - Organic oxide - Organopnictogen compound - Amine - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - 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

Chemical and Physical Properties

• Sensitivity: Light Sensitive,Air Sensitive
• Melt Point(°C): 197 °C
• Molecular Weight: 148.160 g/mol
• XLogP3: 0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 148.064 Da
• Monoisotopic Mass: 148.064 Da
• Topological Polar Surface Area: 55.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 181.000
• 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