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Basic Description
| Synonyms | CAS-95-64-7 | FT-0614365 | NCGC00257612-01 | 3,4-Dimethylaniline | Q4634078 | 3,4-dimethyl-phenylamine | PS-4095 | WLN: ZR C1 D1 | NSC-41800 | 3,4-dimethylbenzene-1-amine | 4-12-00-02502 (Beilstein Handbook Reference) | CHEBI:39901 | 3,4-Dimethylaniline, |
|---|---|
| Specifications & Purity | ≥99% |
| Storage Temp | Store at 2-8°C,Protected from light,Argon charged |
| Shipped In |
Wet ice This product requires cold chain shipping. Ground and other economy services are not available. |
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
- Subclass Xylenes
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Class
Benzene and substituted derivatives
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Superclass
Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Xylenes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | o-Xylenes |
| Alternative Parents | Aniline and substituted anilines Primary amines Organopnictogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | O-xylene - 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 o-xylenes. These are aromatic compounds that contain a o-xylene moiety, which is a monocyclic benzene carrying exactly two methyl groups at the 1- and 2-positions. |
| External Descriptors | primary arylamine - dimethylaniline |
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Associated Targets(Human)
AR
Tclin
Androgen Receptor (11781 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ALDH1A1
Tchem
Aldehyde dehydrogenase 1A1 (77053 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
GMNN
Tbio
Geminin (128009 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Associated Targets(non-human)
Txnrd1
Thioredoxin reductase 1, cytoplasmic (45279 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Nfe2l2
Nuclear factor erythroid 2-related factor 2 (214 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Rorc
Nuclear receptor ROR-gamma (89407 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Nr1i2
Nuclear receptor subfamily 1 group I member 2 (14 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Names and Identifiers
| Pubchem Sid | 504751281 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504751281 |
| IUPAC Name | 3,4-dimethylaniline |
| INCHI | InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3 |
| InChIKey | DOLQYFPDPKPQSS-UHFFFAOYSA-N |
| Smiles | CC1=C(C=C(C=C1)N)C |
| Isomeric SMILES | CC1=C(C=C(C=C1)N)C |
| WGK Germany | 2 |
| RTECS | ZE9450000 |
| UN Number | 3452 |
| Packing Group | II |
| Molecular Weight | 121.18 |
| Beilstein | 507414 |
| Reaxy-Rn | 507414 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=507414&ln= |
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 H1929201 |
Certificate of Analysis | Jun 07, 2023 | D113394 |
| D2312436 |
Certificate of Analysis | Feb 21, 2023 | D113394 |
| D2312760 |
Certificate of Analysis | Feb 21, 2023 | D113394 |
| D2312759 |
Certificate of Analysis | Feb 21, 2023 | D113394 |
| D2312757 |
Certificate of Analysis | Feb 21, 2023 | D113394 |
| D2312744 |
Certificate of Analysis | Feb 21, 2023 | D113394 |
| D2312756 |
Certificate of Analysis | Feb 21, 2023 | D113394 |
| D2312747 |
Certificate of Analysis | Feb 21, 2023 | D113394 |
| D2312442 |
Certificate of Analysis | Feb 21, 2023 | D113394 |
| F2504035 |
Certificate of Analysis | Aug 03, 2021 | D113394 |
Chemical and Physical Properties
| Solubility | H2O: slightly soluble；alcohol: soluble |
|---|---|
| Sensitivity | Sensitive to light and air |
| Flash Point(°F) | 224.6 °F |
| Flash Point(°C) | 107°C |
| Boil Point(°C) | 226°C |
| Melt Point(°C) | 49-51°C |
| Molecular Weight | 121.180 g/mol |
| XLogP3 | 2.500 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 0 |
| Exact Mass | 121.089 Da |
| Monoisotopic Mass | 121.089 Da |
| Topological Polar Surface Area | 26.000 Ų |
| Heavy Atom Count | 9 |
| Formal Charge | 0 |
| Complexity | 90.600 |
| 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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