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Iminostilbene - analytical standard,standard for GC,99.5%, high purity , CAS No.256-96-2
Basic Description
Synonyms
(Z)-5H-Dibenzo[b,f]azepine | Dibenz(b,f)azepine | W-107225 | s4973 | NCGC00246953-01 | Stilbene, 2,2'-imino- | 5H-dibenzazepine | 5H-Dibenzo(b,f)azepine | EN300-176476 | F15408 | NSC123458 | NSC-123458 | 2-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3(8),4,
Specifications & Purity
Standard for GC, ≥99.5%(GC)
Shipped In
Normal
Grade
Standard for GC
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Benzazepines
Subclass
Dibenzazepines
Intermediate Tree Nodes
Not available
Direct Parent
Dibenzazepines
Alternative Parents
Azepines Benzenoids Secondary amines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Dibenzazepine - Azepine - Benzenoid - Azacycle - Secondary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as dibenzazepines. These are compounds with two benzene rings connected by an azepine ring. Azepine is an unsaturated seven-member heterocycle with one nitrogen atom replacing a carbon atom.
External Descriptors
dibenzoazepine - mancude organic heterotricyclic parent
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
11H-benzo[b][1]benzazepine
INCHI
InChI=1S/C14H11N/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)15-13/h1-10,15H
InChIKey
LCGTWRLJTMHIQZ-UHFFFAOYSA-N
Smiles
C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2
Isomeric SMILES
C1=CC=C2C(=C1)C=CC3=CC=CC=C3N2
Molecular Weight
193.25
Reaxy-Rn
1343358
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1343358&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
197-199℃
Molecular Weight
193.240 g/mol
XLogP3
4.000
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
193.089 Da
Monoisotopic Mass
193.089 Da
Topological Polar Surface Area
12.000 Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
222.000
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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G1608053