N-methylaniline
fo-37e3a2b76183afe6
Identity
- Type
- Neutral molecule
- CAS
- 100-61-8
- EC
- 202-870-9
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 59 across every transformer
Structure
Alternative labels
15- (Methylamino)benzene
- Aniline, N-methyl-
- Anilinomethane
- Benzenamine, N-methyl-
- Methyl(phenyl)amine
- Methylaniline
- Methylphenylamine
- Monomethylaniline
- N-Methyl-N-phenylamine
- N-Methylaminobenzene
- N-Methylbenzenamine
- N-Methylphenylamine
- N-Monomethylaniline
- N-Phenyl-N-methylamine
- N-Phenylmethylamine
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | AFBPFSWMIHJQDM-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H9N/c1-8-7-5-3-2-4-6-7/h2-6,8H,1H3 |
| IUPAC name chemrof:IUPAC_name | N-methylaniline |
| Molecular formula chemrof:molecular_formula | C7H9N |
| Molecular mass chemrof:molecular_mass | 107.156 |
| Monoisotopic mass chemrof:monoisotopic_mass | 107.073499, 107.0735 |
| SMILES string chemrof:smiles_string | CNc1ccccc1 |
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=100-61-8 | enrich_references.chebi_xrefs |
| CAS Common Chemistry | https://commonchemistry.cas.org/detail?cas_rn=27082-18-4 | enrich_references.pubchem_identifier_url |
| cdc.gov | https://www.cdc.gov/niosh-rtecs/BY456D70.html | enrich_references.pubchem_identifier_url |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:15733 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.002.610 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0921 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID9021841 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3502 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL170781 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/TH45GK410O | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0255185 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.591B | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C02299 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C02299 | enrich_references.pubchem_identifier_url |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=49836 | enrich_references.pubchem_identifier_url |
| pdb-ccd | pdb-ccd:1MR | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/7515 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#2294 | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018972 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19223035 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/23357676 | enrich_references.chebi_xrefs |
| reaxys | reaxys:741982 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q1959597 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/N-Methylaniline | enrich_references.chebi_xrefs |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| dfbe5fdf-1bfb-4d55-ae54-34bd2db56fd4 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 6d38aee2-c1fa-4ada-a42e-6e3667aa1c6c | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| 33afb55f-7ffd-4a87-890d-45e480b1d631 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 11392659-e65d-4fe3-b1d8-3f1d7d7bd2ee | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| fafb71a6-fd46-4a4a-95b5-d0baa0d02f4b | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 8e9f25f1-7ff8-490b-b4a3-a5c8da67ee11 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 3c6988a9-f7a4-434e-a654-9e5e91e216c0 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 61c8ed5b-b437-44fa-9879-1c72a48970e2 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| 6dadab44-1153-4cd9-8635-5d3d2c8bd4f9 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 92c73789-d7a0-4141-928e-9b9c5769dbea | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 817c5584-bfd4-4853-b9b7-8ee09c067484 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 9eaa37d8-0596-47ae-83ef-e8288afe313b | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 4c628085-9592-4d11-b95f-94fc398bae45 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (59 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