3,4-Dimethylaniline
fo-d3500e2f4a5b2316
Identity
- Type
- Neutral molecule
- CAS
- 95-64-7
- EC
- 202-437-4
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
Alternative labels
11- 1-amino-3,4-dimethylbenzene
- 3,4-dimethylaminobenzene
- 3,4-dimethylbenzenamine
- 3,4-dimethylbenzene-1-amine
- 3,4-dimethylbenzeneamine
- 3,4-dimethylphenylamine
- 3,4-xylidine
- 3,4-xylylamine
- 4-amino-1,2-dimethylbenzene
- 4-amino-o-xylene
- Benzenamine, 3,4-dimethyl-
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | DOLQYFPDPKPQSS-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C8H11N/c1-6-3-4-8(9)5-7(6)2/h3-5H,9H2,1-2H3 |
| IUPAC name chemrof:IUPAC_name | 3,4-Dimethylaniline |
| Molecular formula chemrof:molecular_formula | C8H11N |
| Molecular mass chemrof:molecular_mass | 121.183 |
| Monoisotopic mass chemrof:monoisotopic_mass | 121.089149, 121.08915 |
| SMILES string chemrof:smiles_string | Cc1ccc(N)cc1C |
Known URLs
24Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.
| Resource | URL | Recorded by |
|---|---|---|
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=95-64-7 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:39901 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.217 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0453 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3026308 | enrich_references.pubchem_identifier_url |
| DrugBank | https://go.drugbank.com/drugs/DB03018 | enrich_references.chebi_xrefs |
| drugbank.ca | https://www.drugbank.ca/drugs/DB03018 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=41800 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=7099 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1230039 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/R27I33AIDT | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J357C | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56352 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:34A | enrich_references.chebi_xrefs |
| platform.opentargets.org | https://platform.opentargets.org/drug/CHEMBL1230039 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7248 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3452 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018977 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/1499570 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/18113546 | enrich_references.chebi_xrefs |
| reaxys | reaxys:507414 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q4634078 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/3,4-Xylidine | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/3,4-xylidine | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 4f35957e-6994-441d-99af-209d0ea6f05a | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 36897d92-8d92-43ae-be3d-7bedddc0a2dd | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| ec5596ba-8270-4da7-8c56-5ee4fc7943f5 | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 40e376b8-92b9-46e6-b483-6d3c2b3cee0e | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| ace74502-1534-4f81-9dac-879b9e10d6f1 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| ab084777-b33a-49b2-88b2-a5322401ba02 | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 00dde73d-52bb-4f47-b673-0011aa4de20d | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 7f03ebdc-3a72-40c0-b6d7-35f763174e83 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 66aba20e-c63e-41ff-a314-07685537ee88 | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 7d76a8c4-620a-4364-a138-68348156d9f1 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 1bced262-b0a9-41c2-9a52-519c5a5fe5a8 | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| 124f49fc-67ca-4bce-af30-38c04e1efb1a | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| df84ce27-0b2f-4b02-9c04-586e7326c185 | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works