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7-amino-2,3-dihydro-1H-isoindol-1-one - 97%, high purity , CAS No.169044-98-8
Basic Description
Synonyms
7-aminoisoindolin-1-one | 169044-98-8 | 7-AMINO-2,3-DIHYDRO-1H-ISOINDOL-1-ONE | 7-AMINO-2,3-DIHYDROISOINDOL-1-ONE | 7-AMINOISOINDOLINONE | MFCD09396704 | 1H-ISOINDOL-1-ONE, 7-AMINO-2,3-DIHYDRO- | 7-Amino-1-isoindolinone | SCHEMBL1585047 | DTXSID30585552 | ZPJBSWJZELXZKA-UHFF
Specifications & Purity
≥97%
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoindoles and derivatives
Subclass
Isoindolines
Intermediate Tree Nodes
Not available
Direct Parent
Isoindolones
Alternative Parents
Isoindoles Benzenoids Vinylogous amides Secondary carboxylic acid amides Lactams Amino acids and derivatives Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Isoindolone - Isoindole - Benzenoid - Vinylogous amide - Amino acid or derivatives - Carboxamide group - Secondary carboxylic acid amide - Lactam - Carboxylic acid derivative - Azacycle - Amine - Organooxygen compound - Organonitrogen compound - Primary amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - 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.
Names and Identifiers
IUPAC Name
7-amino-2,3-dihydroisoindol-1-one
INCHI
InChI=1S/C8H8N2O/c9-6-3-1-2-5-4-10-8(11)7(5)6/h1-3H,4,9H2,(H,10,11)
InChIKey
ZPJBSWJZELXZKA-UHFFFAOYSA-N
Smiles
C1C2=C(C(=CC=C2)N)C(=O)N1
Isomeric SMILES
C1C2=C(C(=CC=C2)N)C(=O)N1
Molecular Weight
148.165
Reaxy-Rn
14521345
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14521345&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
moisture sensitive
Molecular Weight
148.160 g/mol
XLogP3
0.600
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
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G2207054