Brightway Flows 1.0
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4-(Diethylamino)benzaldehyde

fo-a623a46c729813e7

Identity

Type
Neutral molecule
CAS
120-21-8
EC
204-377-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for 4-(Diethylamino)benzaldehyde

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string MNFZZNNFORDXSV-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C11H15NO/c1-3-12(4-2)11-7-5-10(9-13)6-8-11/h5-9H,3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name 4-(Diethylamino)benzaldehyde
Molecular formula chemrof:molecular_formula C11H15NO
Molecular mass chemrof:molecular_mass 177.247
Monoisotopic mass chemrof:monoisotopic_mass 177.11536, 177.115364
SMILES string chemrof:smiles_string CCN(CC)c1ccc(C=O)cc1

Known URLs

16

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=120-21-8 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:86194 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.980 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0021963 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8782 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3416563 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/S640XWL10H enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0246302 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J37.725B enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:3W9 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/67114 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=019985 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/25512087 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/25554827 enrich_references.chebi_xrefs
reaxys reaxys:511102 enrich_references.chebi_xrefs
Wikidata https://www.wikidata.org/wiki/Q27158973 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
a504cdf6-df00-4117-9d45-ef5e2d6dcc1d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
72887255-3417-4064-b427-b1071ac69763 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
ea564608-68cb-4c34-ae2a-391e05b95f31 Environmental → Air → Indoor EF 3.1 kg 2
f25ae2d1-a606-4799-93e2-290e3578ecdc Environmental → Air → Long-term EF 3.1 kg 0
bc8bda80-4116-4e3e-8d6e-c6c67a8df2e1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
35800d96-5d80-423d-8922-9135b46325ba Environmental → Air → Unknown EF 3.1 kg 2
b9a048bd-e013-46d3-beb8-3e8ade9a1932 Environmental → Ground → Agricultural EF 3.1 kg 2
7cde2cc2-88e0-4139-9b3a-8e46d8cc3e18 Environmental → Ground → Non-agricultural EF 3.1 kg 2
59896749-d959-4d85-8430-78d56c21a6bc Environmental → Ground → Unknown EF 3.1 kg 2
2bc72df7-df93-4cd7-8b17-6357362e850e Environmental → Water → Long-term EF 3.1 kg 0
15f30f07-7cb3-4bcc-84bc-bbd98ec9c007 Environmental → Water → Ocean EF 3.1 kg 2
da580bac-03f1-4e92-8b47-3564a56ffbed Environmental → Water → Surface water EF 3.1 kg 2
9b3eb738-09bc-4903-8159-3945ea2b1112 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
    {
      "@value": "4-(N,N-Diethylamine)benzaldehyde",
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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

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