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3-Amino-2-phenylindenone - ≥95%, high purity , CAS No.1947-47-3
Basic Description
Synonyms
3-Amino-2-phenyl-1H-inden-1-one | 1947-47-3 | 3-Amino-2-phenylindenone | 3-amino-2-phenylinden-1-one | NSC156175 | NSC 156175 | Maybridge1_003093 | Oprea1_664704 | 3-amino-2-phenyl-inden-1-one | CHEMBL4074750 | SCHEMBL15716847 | HMS550E13 | DTXSID20173109 | HLEKBTIHDXNOQP-UHFFFAOY
Specifications & Purity
≥95%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Indenes and isoindenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Indenes and isoindenes
Alternative Parents
Aryl ketones Benzene and substituted derivatives Vinylogous amides Enamines Organopnictogen compounds Organic oxides Monoalkylamines Hydrocarbon derivatives
Molecular Framework
Aromatic homopolycyclic compounds
Substituents
Indene - Aryl ketone - Monocyclic benzene moiety - Vinylogous amide - Ketone - Enamine - Amine - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homopolycyclic compound
Description
This compound belongs to the class of organic compounds known as indenes and isoindenes. These are compounds containing an indene moiety(which consists of a cyclopentadiene fused to a benzene ring), or a isoindene moiety (which consists of a cyclopentadiene fused to cyclohexadiene ring).
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
Pubchem Sid
504758338
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504758338
IUPAC Name
3-amino-2-phenylinden-1-one
INCHI
InChI=1S/C15H11NO/c16-14-11-8-4-5-9-12(11)15(17)13(14)10-6-2-1-3-7-10/h1-9H,16H2
InChIKey
HLEKBTIHDXNOQP-UHFFFAOYSA-N
Smiles
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C2=O)N
Isomeric SMILES
C1=CC=C(C=C1)C2=C(C3=CC=CC=C3C2=O)N
Molecular Weight
221.259
Reaxy-Rn
1875348
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1875348&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
271-273°C
Molecular Weight
221.250 g/mol
XLogP3
2.600
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
1
Exact Mass
221.084 Da
Monoisotopic Mass
221.084 Da
Topological Polar Surface Area
43.100 Ų
Heavy Atom Count
17
Formal Charge
0
Complexity
352.000
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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G2131091