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2,6-Diaminotoluene - 98%, high purity , CAS No.823-40-5
Basic Description
Synonyms
(3-amino-2-methyl-phenyl)amine | 3-13-00-00291 (Beilstein Handbook Reference) | NSC147490 | NSC-147490 | A840303 | 2,6-DIAMINOTOLUENE | NSC 147490 | MFCD00007800 | FT-0666394 | NCGC00090710-01 | 1,3-DIAMINO-2-METHYLBENZENE | 2-Methyl-1,3-benzenediamine (A
Specifications & Purity
≥98%
Storage Temp
Store at 2-8°C,Argon charged
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Toluenes
Intermediate Tree Nodes
Aminotoluenes
Direct Parent
Diaminotoluenes
Alternative Parents
Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
Diaminotoluene - Aniline or substituted anilines - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organonitrogen compound - Amine - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as diaminotoluenes. These are organic aromatic compounds containing a benzene that carries a single methyl group exactly 2 amino groups.
External Descriptors
primary amino compound - diamine
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
504752434
Pubchem Sid Url
https://pubchem.ncbi.nlm.nih.gov/substance/504752434
IUPAC Name
2-methylbenzene-1,3-diamine
INCHI
InChI=1S/C7H10N2/c1-5-6(8)3-2-4-7(5)9/h2-4H,8-9H2,1H3
InChIKey
RLYCRLGLCUXUPO-UHFFFAOYSA-N
Smiles
CC1=C(C=CC=C1N)N
Isomeric SMILES
CC1=C(C=CC=C1N)N
WGK Germany
3
RTECS
XS9750000
UN Number
3077
Packing Group
III
Molecular Weight
122.17
Beilstein
2079476
Reaxy-Rn
2079476
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2079476&ln=
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Soluble in Alcohol,Ether
Sensitivity
air sensitive
Boil Point(°C)
282°C
Melt Point(°C)
104-106 °C
Molecular Weight
122.170 g/mol
XLogP3
0.900
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
Rotatable Bond Count
0
Exact Mass
122.084 Da
Monoisotopic Mass
122.084 Da
Topological Polar Surface Area
52.000 Ų
Heavy Atom Count
9
Formal Charge
0
Complexity
82.900
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
Citations of This Product
1.
Xinlin Zha, Guilin Xu, Yi Xiong, Zhong Yan, Ke Liu, Mufang Li, Yuanli Chen, Jing Lu, Dong Wang.
(2022)
Modulating the Macroscopic Helicity of Poly(m-phenylenediamine) by Achiral Monomer Copolymerization.
ADVANCED FUNCTIONAL MATERIALS,
33
(3):
(2211956).
2.
Can Chen, Guotong Ruan, Yujie Sun, Lili Wang, Chengwu Zhang, Jinhua Liu.
(2021)
In situ Cu2+-triggered wavelength-tunable fluorescent sensor for highly sensitive sensing inorganic pyrophosphatase activity and its logic gate application.
SENSORS AND ACTUATORS B-CHEMICAL,
346
(130439).
3.
Huilin Gou, Yanfeng Liu, Guiyang Zhang, Qiaobo Liao, Xin Huang, Fangyi Ning, Can Ke, Zhen Meng, Kai Xi.
(2019)
Lifetime-tunable room-temperature phosphorescence of polyaniline carbon dots in adjustable polymer matrices.
Nanoscale,
11
(39):
(18311-18319).
4.
Rui Xiong, Meiling Chen, Xin Cui, Qi Wang, Xiaowang Liu, Baoyou Geng.
(2019)
Simultaneous and Reversible Triggering of the Phase Transfer and Luminescence Change of Amidine-Modified Carbon Dots by CO2.
ACS Applied Materials & Interfaces,
11
(25):
(22851–22857).
5.
Bingyu Zhao, Haojie Li, Zian Chen, Jiawei Lin, Yaodong Liu.
(2024)
Enhancing gas separation performance of polyimide with Tröger’s bases: Unveiling the impact on polymer and carbon molecular sieve membranes.
SEPARATION AND PURIFICATION TECHNOLOGY,
336
(126286).
6.
Ao Tang, Zhuo Chen, Huijie Nie, Jie Dong, Xin Zhao, Xiuting Li, Qingsong Xu, Qinghua Zhang.
(2025)
Polyimide gas separation membrane with an ultrahigh molecule sieving ability by interchain hydrogen-bonding and thermo-oxidative cross-linking networks.
SEPARATION AND PURIFICATION TECHNOLOGY,
364
(132333).
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