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N,N-Diethyl-m-toluidine - >99.0%(GC), high purity , CAS No.91-67-8
Basic Description
Synonyms
3-Methyl-N,N-diethylbenzenamine | meta-Methyl(diethylamino)benzene | AKOS009031464 | N,N-Diethyl-m-toluidine, >=99.0% (GC) | Z104478590 | m-Toluidine, N,N-diethyl- | AI3-28462 | 3-(Diethylamino)toluene | D3868 | DTXCID5031183 | EINECS 202-089-3 | SCHEMBL4
Specifications & Purity
≥99%(GC)
Storage Temp
Argon charged
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Not available
Direct Parent
Aminotoluenes
Alternative Parents
Dialkylarylamines Aniline and substituted anilines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Aminotoluene - Aniline or substituted anilines - Dialkylarylamine - Tertiary aliphatic/aromatic amine - Tertiary amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as aminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group and one amino group.
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
488183829
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/488183829
IUPAC Name
N,N-diethyl-3-methylaniline
INCHI
InChI=1S/C11H17N/c1-4-12(5-2)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
InChIKey
CIPVVROJHKLHJI-UHFFFAOYSA-N
Smiles
CCN(CC)C1=CC=CC(=C1)C
Isomeric SMILES
CCN(CC)C1=CC=CC(=C1)C
WGK Germany
2
RTECS
CX9869375
Molecular Weight
163.26
Beilstein
12(4)1816
Reaxy-Rn
878995
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878995&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Sensitivity
Air sensitive
Refractive Index
1.54
Flash Point(°F)
212 °F
Flash Point(°C)
100 °C
Boil Point(°C)
107°C/11mmHg
Molecular Weight
163.260 g/mol
XLogP3
3.500
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
1
Rotatable Bond Count
3
Exact Mass
163.136 Da
Monoisotopic Mass
163.136 Da
Topological Polar Surface Area
3.200 Ų
Heavy Atom Count
12
Formal Charge
0
Complexity
118.000
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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