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Details

Stereochemistry ACHIRAL
Molecular Formula C7H10N2.ClH
Molecular Weight 158.629
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2,4-Diaminotoluene hydrochloride

SMILES

Cl.CC1=C(N)C=C(N)C=C1

InChI

InChIKey=IHJBOVQRFCCUJJ-UHFFFAOYSA-N
InChI=1S/C7H10N2.ClH/c1-5-2-3-6(8)4-7(5)9;/h2-4H,8-9H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula C7H10N2
Molecular Weight 122.1677
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Interaction with the aromatic hydrocarbon receptor, CYP1A induction, and mutagenicity of a series of diaminotoluenes: implications for their carcinogenicity.
1996 Jul
Degradability of selected azo dye metabolites in activated sludge systems.
2001 Aug
LC-MS determination of urinary toluenediamine in workers exposed to toluenediisocyanate.
2002 Aug 5
Toxicology of toluene diisocyanate.
2002 Dec
Evaluation of carcinogenic responses in the Eker rat following short-term exposure to selected nephrotoxins and carcinogens.
2002 Sep-Oct
Mutagenicity of nitroaromatic degradation compounds.
2003 Oct
2,4-Diaminotoluene.
2004
Hydrolytic stability of toluene diisocyanate and polymeric methylenediphenyl diisocyanate based polyureas under environmental conditions.
2004 Feb 15
Upper reference limits for biomarkers of exposure to aromatic diisocyanates.
2005 Aug
Differences in the biotransformation of 2,4,6-trinitrotoluene (TNT) between wild and axenically grown isolates of Myriophyllum aquaticum.
2006
Exposure of hairdressing apprentices to airborne hazardous substances.
2006 Aug 7
2,4-Toluene diisocyanate suppressed the calcium signaling of ligand gated ion channel receptors.
2006 Feb 15
Prediction of estrogen receptor agonists and characterization of associated molecular descriptors by statistical learning methods.
2006 Nov
Induction of LacZ mutations in Muta Mouse can distinguish carcinogenic from non-carcinogenic analogues of diaminotoluenes and nitronaphthalenes.
2006 Sep 19
[Determination and analysis of toluene diisocyanate metabolites in mice using gas chromatography-mass spectrometry].
2007 Sep
Biological monitoring of TDI-derived amines in polyurethane foam production.
2007 Sep
Evaluation of a liver micronucleus assay with 12 chemicals using young rats (II): a study by the Collaborative Study Group for the Micronucleus Test/Japanese Environmental Mutagen Society-Mammalian Mutagenicity Study Group.
2009 Jan
Current implant surface technology: an examination of their nanostructure and their influence on fibroblast alignment and biocompatibility.
2009 Jun 16
Evaluation of a liver micronucleus assay in young rats (IV): a study using a double-dosing/single-sampling method by the Collaborative Study Group for the Micronucleus Test (CSGMT)/Japanese Environmental Mutagen Society (JEMS)-Mammalian Mutagenicity Study Group (MMS).
2010 Apr 30
Analysis of primary aromatic amines originated from azo dyes in commercial textile products in Japan.
2010 Aug
Validation of a liquid chromatography-mass spectrometry method for determining the migration of primary aromatic amines from cooking utensils and its application to actual samples.
2010 Jan
Toxicogenomics applied to in vitro carcinogenicity testing with Balb/c 3T3 cells revealed a gene signature predictive of chemical carcinogens.
2010 Nov
Patents
Substance Class Chemical
Created
by admin
on Sat Dec 16 12:41:21 GMT 2023
Edited
by admin
on Sat Dec 16 12:41:21 GMT 2023
Record UNII
CH3Q7R58KH
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2,4-Diaminotoluene hydrochloride
Systematic Name English
1,3-Benzenediamine, 4-methyl-, hydrochloride (1:1)
Systematic Name English
1,3-Benzenediamine, 4-methyl-, monohydrochloride
Systematic Name English
NSC-1494
Code English
Toluene-2,4-diamine, monohydrochloride
Systematic Name English
Code System Code Type Description
PUBCHEM
79575
Created by admin on Sat Dec 16 12:41:21 GMT 2023 , Edited by admin on Sat Dec 16 12:41:21 GMT 2023
PRIMARY
NSC
1494
Created by admin on Sat Dec 16 12:41:21 GMT 2023 , Edited by admin on Sat Dec 16 12:41:21 GMT 2023
PRIMARY
FDA UNII
CH3Q7R58KH
Created by admin on Sat Dec 16 12:41:21 GMT 2023 , Edited by admin on Sat Dec 16 12:41:21 GMT 2023
PRIMARY
CAS
5459-85-8
Created by admin on Sat Dec 16 12:41:21 GMT 2023 , Edited by admin on Sat Dec 16 12:41:21 GMT 2023
PRIMARY
EPA CompTox
DTXSID3063912
Created by admin on Sat Dec 16 12:41:21 GMT 2023 , Edited by admin on Sat Dec 16 12:41:21 GMT 2023
PRIMARY