Consensus flow list

Identity

Type
Molecular complex
CAS
68411-20-1
EC
270-109-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
52 across every transformer

Structure

Structure diagram for Butanal, Reaction Products With Aniline

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string SRGBNANKQPZXFZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H7N.C4H8O/c7-6-4-2-1-3-5-6;1-2-3-4-5/h1-5H,7H2;4H,2-3H2,1H3
IUPAC name chemrof:IUPAC_name aniline;butanal, butyraldehyde;phenylamine
Molecular formula chemrof:molecular_formula C10H15NO
Molecular mass chemrof:molecular_mass 165.236
Monoisotopic mass chemrof:monoisotopic_mass 165.115364
SMILES string chemrof:smiles_string CCCC=O.C1=CC=C(C=C1)N

Known URLs

4

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=68411-20-1 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=9003-37-6 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/163221 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72513769 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9032990e-bafd-4167-bda1-05720bad3cab Environmental → Air → Aircraft cruise height EF 3.1 kg 4
e3337553-0d3f-459b-86ae-aaccf47088e1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
ab6c2710-88a9-4d26-9e46-37a0585bc7cf Environmental → Air → Indoor EF 3.1 kg 4
727916bb-32ff-4bc7-9296-7fc66c1763da Environmental → Air → Long-term EF 3.1 kg 0
b06f73f2-e591-457a-8a82-0188d6df1966 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
bcc341e8-a7b9-4ff5-bd37-675a92a8c104 Environmental → Air → Unknown EF 3.1 kg 4
ef2aff9a-70d5-48a3-930d-9cf837fe7764 Environmental → Ground → Agricultural EF 3.1 kg 4
10a1b95f-e751-4768-8c8f-b832a53a20b3 Environmental → Ground → Non-agricultural EF 3.1 kg 4
68ea8050-3871-4669-8e77-2c4da9daa4f0 Environmental → Ground → Unknown EF 3.1 kg 4
f78d55f7-1e84-41e2-a118-c9251d9777b9 Environmental → Water → Long-term EF 3.1 kg 0
4f8062e8-5d5c-416d-8073-4b12f2cb7f2a Environmental → Water → Ocean EF 3.1 kg 4
578406f0-6695-4051-9f8a-00d241af49b6 Environmental → Water → Surface water EF 3.1 kg 4
ba0c5bca-5328-4ade-b9e4-82af32e88687 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (52 changes)

Open the changes page

Full record

Flow object JSON
{
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  "altLabel": [],
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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  "parent_intervention_id": null,
  "@type": [
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  ]
}

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