| Record Information |
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| Version | 1.0 |
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| Creation Date | 2016-05-22 03:23:53 UTC |
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| Update Date | 2016-11-09 01:15:21 UTC |
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| Accession Number | CHEM016235 |
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| Identification |
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| Common Name | Auramine hydrochloride |
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| Class | Small Molecule |
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| Description | A hydrochloride obtained by combining 4,4'-carbonimidoylbis(N,N-dimethylaniline) with one molar equivalent of hydrogen chloride. A fluorescent stain for demonstrating acid fast organisms in a method similar to the Ziehl Neelsen. It also can be used to make a fluorescent Schiff reagent. |
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| Contaminant Sources | - ToxCast & Tox21 Chemicals
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| Contaminant Type | Not Available |
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| Chemical Structure | |
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| Synonyms | | Value | Source |
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| (Tetramethyldiamino)diphenylketoimine hydrochloride | ChEBI | | 1,1-Bis(p-dimethylaminophenyl)methylenimine hydrochloride | ChEBI | | 4,4'-(Imidocarbonyl)bis(N,N-dimethylamine), monohydrochloride | ChEBI | | 4,4'-Bis(dimethylamino)-benzhydrylidenimine hydrochloride | ChEBI | | 4:4'-Bis(dimethylamino)benzophenone-imine hydrochloride | ChEBI | | Auramin | ChEBI | | Auramine yellow | ChEBI | | Basic yellow 2 | ChEBI | | C.I. 41000 | ChEBI | | C.I. basic yellow 2 | ChEBI | | C.I. basic yellow 2, monohydrochloride | ChEBI | | Auramine | MeSH | | Benzophenoneidum | MeSH | | O, Auramine | MeSH |
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| Chemical Formula | C17H22ClN3 |
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| Average Molecular Mass | 303.830 g/mol |
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| Monoisotopic Mass | 303.150 g/mol |
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| CAS Registry Number | 2465-27-2 |
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| IUPAC Name | 4-[4-(dimethylamino)benzenecarboximidoyl]-N,N-dimethylaniline hydrochloride |
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| Traditional Name | auramine hydrochloride |
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| SMILES | Cl.CN(C)C1=CC=C(C=C1)C(=N)C1=CC=C(C=C1)N(C)C |
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| InChI Identifier | InChI=1S/C17H21N3.ClH/c1-19(2)15-9-5-13(6-10-15)17(18)14-7-11-16(12-8-14)20(3)4;/h5-12,18H,1-4H3;1H |
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| InChI Key | KSCQDDRPFHTIRL-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Description | belongs to the class of organic compounds known as diphenylmethanes. Diphenylmethanes are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
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| Kingdom | Organic compounds |
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| Super Class | Benzenoids |
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| Class | Benzene and substituted derivatives |
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| Sub Class | Diphenylmethanes |
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| Direct Parent | Diphenylmethanes |
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| Alternative Parents | |
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| Substituents | - Diphenylmethane
- Aniline or substituted anilines
- Dialkylarylamine
- Tertiary aliphatic/aromatic amine
- Tertiary amine
- Ketimine
- Organic nitrogen compound
- Organopnictogen compound
- Hydrocarbon derivative
- Hydrochloride
- Organonitrogen compound
- Imine
- Amine
- Aromatic homomonocyclic compound
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| Molecular Framework | Aromatic homomonocyclic compounds |
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| External Descriptors | |
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| Biological Properties |
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| Status | Detected and Not Quantified |
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| Origin | Not Available |
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| Cellular Locations | Not Available |
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| Biofluid Locations | Not Available |
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| Tissue Locations | Not Available |
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| Pathways | Not Available |
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| Applications | Not Available |
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| Biological Roles | Not Available |
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| Chemical Roles | Not Available |
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| Physical Properties |
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| State | Not Available |
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| Appearance | Not Available |
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| Experimental Properties | | Property | Value |
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| Melting Point | Not Available | | Boiling Point | Not Available | | Solubility | Not Available |
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| Predicted Properties | |
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| Spectra |
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| Spectra | | Spectrum Type | Description | Splash Key | View |
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| Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Positive | splash10-0udi-0009000000-6643c6bbb2b7f06cc155 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Positive | splash10-0udi-0009000000-6643c6bbb2b7f06cc155 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Positive | splash10-0udi-0009000000-6643c6bbb2b7f06cc155 | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 10V, Negative | splash10-0udi-0009000000-6f813a6ebc37d8e204eb | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 20V, Negative | splash10-0udi-0009000000-6f813a6ebc37d8e204eb | Spectrum | | Predicted LC-MS/MS | Predicted LC-MS/MS Spectrum - 40V, Negative | splash10-0udi-0009000000-6f813a6ebc37d8e204eb | Spectrum |
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| Toxicity Profile |
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| Route of Exposure | Not Available |
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| Mechanism of Toxicity | Not Available |
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| Metabolism | Not Available |
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| Toxicity Values | Not Available |
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| Lethal Dose | Not Available |
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| Carcinogenicity (IARC Classification) | Not Available |
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| Uses/Sources | Not Available |
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| Minimum Risk Level | Not Available |
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| Health Effects | Not Available |
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| Symptoms | Not Available |
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| Treatment | Not Available |
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| Concentrations |
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| Not Available |
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| External Links |
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| DrugBank ID | Not Available |
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| HMDB ID | Not Available |
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| FooDB ID | Not Available |
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| Phenol Explorer ID | Not Available |
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| KNApSAcK ID | Not Available |
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| BiGG ID | Not Available |
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| BioCyc ID | Not Available |
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| METLIN ID | Not Available |
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| PDB ID | Not Available |
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| Wikipedia Link | Auramine_O |
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| Chemspider ID | Not Available |
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| ChEBI ID | 51876 |
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| PubChem Compound ID | 17170 |
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| Kegg Compound ID | Not Available |
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| YMDB ID | Not Available |
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| ECMDB ID | Not Available |
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| References |
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| Synthesis Reference | Not Available |
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| MSDS | Not Available |
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| General References | |
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