Consensus flow list

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

Structure diagram for N-methylaniline

Alternative labels

15

Properties

PropertyValue
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

24

Where 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.org 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)

Open the changes page

Full record

Flow object JSON
{
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  "altLabel": [
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        "prov:wasDerivedFrom": "chebi synonym match"
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    },
    {
      "@value": "Aniline, N-methyl-",
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    },
    {
      "@value": "Anilinomethane",
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