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N-(4-Amino-2-chlorophenyl)phthalimide - ≥95%, high purity , CAS No.19348-53-9
Basic Description
Synonyms
2-(4-amino-2-chlorophenyl)-1H-isoindole-1,3(2H)-dione | A9345_SIGMA | 2-(4-Amino-2-chloro-phenyl)-isoindole-1,3-dione | MFCD00658249
Specifications & Purity
≥95%
Storage Temp
Store at 2-8°C,Protected from light,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Product Description
An anticonvulsant.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Isoindoles and derivatives
Subclass
Isoindolines
Intermediate Tree Nodes
Isoindolones
Direct Parent
Phthalimides
Alternative Parents
Isoindoles Aniline and substituted anilines Chlorobenzenes N-substituted carboxylic acid imides Aryl chlorides Amino acids and derivatives Azacyclic compounds Primary amines Organooxygen compounds Organochlorides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Phthalimide - Isoindole - Aniline or substituted anilines - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Carboxylic acid imide, n-substituted - Carboxylic acid imide - Amino acid or derivatives - Carboxylic acid derivative - Azacycle - Organonitrogen compound - Organooxygen compound - Primary amine - Organic nitrogen compound - Amine - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organochloride - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as phthalimides. These are aromatic heterocyclic compounds containing a 1,3-dioxoisoindoline moiety. They are imide derivatives of phthalic anhydrides.
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.
Associated Targets(Human)
Associated Targets(non-human)
Mechanisms of Action
Mechanism of Action
Action Type
target ID
Target Name
Target Type
Target Organism
Binding Site Name
References
Names and Identifiers
IUPAC Name
2-(4-amino-2-chlorophenyl)isoindole-1,3-dione
INCHI
InChI=1S/C14H9ClN2O2/c15-11-7-8(16)5-6-12(11)17-13(18)9-3-1-2-4-10(9)14(17)19/h1-7H,16H2
InChIKey
DRZDMSPFGPTPER-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)C(=O)N(C2=O)C3=C(C=C(C=C3)N)Cl
Isomeric SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)C3=C(C=C(C=C3)N)Cl
WGK Germany
3
Molecular Weight
272.69
Reaxy-Rn
1538881
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1538881&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
DMSO: soluble >5 mg/mL; H2O: insoluble
Sensitivity
light sensitive
Molecular Weight
272.680 g/mol
XLogP3
2.300
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
1
Exact Mass
272.035 Da
Monoisotopic Mass
272.035 Da
Topological Polar Surface Area
63.400 Ų
Heavy Atom Count
19
Formal Charge
0
Complexity
377.000
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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