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7,9-Dimethylbenz[c]acridine - technical grade, high purity , CAS No.963-89-3
Basic Description
Synonyms
starbld0001896 | 3,10-Dimethyl-7,8-benzacridine | HEFJMRLDXHSXEP-UHFFFAOYSA-N | 7,9-Dimethylbenzo[c]acridine # | AKOS015889611 | 7,9-Dimethylbenzo[c]acridine | 7,9-Dimethyl benz(c)acridine | 7,9-DIMETHYLBENZ(C)ACRIDINE | 7,9-Dimethylbenz[c]acridine, techn
Specifications & Purity
technical grade
Grade
technical grade
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Quinolines and derivatives
Subclass
Benzoquinolines
Intermediate Tree Nodes
Acridines
Direct Parent
Benzacridines
Alternative Parents
Naphthalenes Methylpyridines Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Benz-c-acridine - Naphthalene - Methylpyridine - Benzenoid - Pyridine - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as benzacridines. These are organic heterocyclic compounds with a structure characterized by a benzene ring fused to an acridine ring system.
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)
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
7,9-dimethylbenzo[c]acridine
INCHI
InChI=1S/C19H15N/c1-12-7-10-18-17(11-12)13(2)15-9-8-14-5-3-4-6-16(14)19(15)20-18/h3-11H,1-2H3
InChIKey
HEFJMRLDXHSXEP-UHFFFAOYSA-N
Smiles
CC1=CC2=C(C=C1)N=C3C(=C2C)C=CC4=CC=CC=C43
Isomeric SMILES
CC1=CC2=C(C=C1)N=C3C(=C2C)C=CC4=CC=CC=C43
WGK Germany
3
RTECS
CU3480000
Molecular Weight
257.33
Reaxy-Rn
192241
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=192241&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
257.300 g/mol
XLogP3
5.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
0
Exact Mass
257.12 Da
Monoisotopic Mass
257.12 Da
Topological Polar Surface Area
12.900 Ų
Heavy Atom Count
20
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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