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4-(Dimethylamino)-2'-methylazobenzene - 95%, high purity , CAS No.3731-39-3
Basic Description
Synonyms
UNII-5G8S94HD3V | Azobenzene, 4-(dimethylamino)-2'-methyl- | N,N-Dimethyl-4-[(E)-(2-methylphenyl)diazenyl]aniline | (E)-N,N-dimethyl-4-(o-tolyldiazenyl)aniline | EINECS 223-088-4 | T72382 | N,N-Dimethyl-p-(o-tolylazo)aniline | NCIOpen2_007030 | Benzenamin
Specifications & Purity
≥95%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organoheterocyclic compounds
Class
Azobenzenes
Subclass
Not available
Intermediate Tree Nodes
Not available
Direct Parent
Azobenzenes
Alternative Parents
Dialkylarylamines Aniline and substituted anilines Toluenes Azo compounds Propargyl-type 1,3-dipolar organic compounds Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Azobenzene - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Toluene - Benzenoid - Monocyclic benzene moiety - Tertiary amine - Azo compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Amine - Organonitrogen compound - Hydrocarbon derivative - Organopnictogen compound - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as azobenzenes. These are organonitrogen aromatic compounds that contain a central azo group, where each nitrogen atom is conjugated to a benzene 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.
Names and Identifiers
Pubchem Sid
488182544
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488182544
IUPAC Name
N,N-dimethyl-4-[(2-methylphenyl)diazenyl]aniline
INCHI
InChI=1S/C15H17N3/c1-12-6-4-5-7-15(12)17-16-13-8-10-14(11-9-13)18(2)3/h4-11H,1-3H3
InChIKey
PREOKNMPMCPQQJ-UHFFFAOYSA-N
Smiles
CC1=CC=CC=C1N=NC2=CC=C(C=C2)N(C)C
Isomeric SMILES
CC1=CC=CC=C1N=NC2=CC=C(C=C2)N(C)C
RTECS
BX8300000
Molecular Weight
239.32
Reaxy-Rn
747769
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=747769&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Melt Point(°C)
74 °C
Molecular Weight
239.320 g/mol
XLogP3
4.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
239.142 Da
Monoisotopic Mass
239.142 Da
Topological Polar Surface Area
28.000 Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
267.000
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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C23101172