4-amino-2,3-dihydro-1H-isoindol-1-one - ≥97% , CAS No.366452-98-4

CAS: 366452-98-4 Cat. No.: A176282 Molecular Weight: 148.165 EC Number: 868-944-3

GRADE & PURITY ≥97%

Synonyms

AKOS005072374 | BDBM50137374 | DTXSID90431804 | SY042841 | PB14554 | 4-amino-1-isoindolinone | EC-0727 | A6322 | Z1198176565 | J-514426 | FT-0680962 | DICHLORVOSD6 | EN300-211846 | AM803784 | MFCD08234883 | 4-Amino-2,3-dihydro-1H-isoindol-1-one | 4-Amino-

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AKOS005072374 | BDBM50137374 | DTXSID90431804 | SY042841 | PB14554 | 4-amino-1-isoindolinone | EC-0727 | A6322 | Z1198176565 | J-514426 | FT-0680962 | DICHLORVOSD6 | EN300-211846 | AM803784 | MFCD08234883 | 4-Amino-2, 3-dihydro-1H-isoindol-1-one | 4-Amino-

Specifications & Purity

≥97%

Storage

Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504764983
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504764983
• Canonical Smiles: C1C2=C(C=CC=C2N)C(=O)N1
• IUPAC Name: 4-amino-2,3-dihydroisoindol-1-one
• InChIKey: GZRGLZWHIFBBLS-UHFFFAOYSA-N
• INCHI: 1S/C8H8N2O/c9-7-3-1-2-5-6(7)4-10-8(5)11/h1-3H,4,9H2,(H,10,11)
• Isomeric SMILES: C1C2=C(C=CC=C2N)C(=O)N1
• Molecular Weight: 148.165
• Reaxy-Rn: 9552488
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9552488&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Isoindoles and derivatives
      • Subclass Isoindolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Isoindoles and derivatives
• Subclass: Isoindolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Isoindolones
• Alternative Parents: Isoindoles Benzenoids Secondary carboxylic acid amides Lactams Amino acids and derivatives Azacyclic compounds Primary amines Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: Isoindolone - Isoindole - Benzenoid - Amino acid or derivatives - Carboxamide group - Lactam - Secondary carboxylic acid amide - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Amine - Organic oxygen compound - Organooxygen compound - Primary amine - Aromatic heteropolycyclic compound
• Description: This compound belongs to the class of organic compounds known as isoindolones. These are aromatic polycyclic compounds that an isoindole bearing a ketone.
• 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

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 148.160 g/mol
• XLogP3: 0.100
• 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