Consensus flow list

(13z)-n-[3-(dimethylamino)propyl]docos-13-enamide

fo-db079eabd0d20320

Identity

Type
NeutralMolecule
CAS
149968-48-9
EC
604-714-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for (13z)-n-[3-(dimethylamino)propyl]docos-13-enamide

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AOKZLBCDXJYXOK-QXMHVHEDSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C27H54N2O/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27(30)28-25-23-26-29(2)3/h11-12H,4-10,13-26H2,1-3H3,(H,28,30)/b12-11-
Isomeric SMILES string chemrof:isomeric_smiles_string CCCCCCCC/C=C\CCCCCCCCCCCC(=O)NCCCN(C)C
IUPAC name chemrof:IUPAC_name (13Z)-N-[3-(Dimethylamino)propyl]-13-docosenamide
Molecular formula chemrof:molecular_formula C27H54N2O
Molecular mass chemrof:molecular_mass 422.742
Monoisotopic mass chemrof:monoisotopic_mass 422.423614
SMILES string chemrof:smiles_string CCCCCCCCC=CCCCCCCCCCCCC(=O)NCCCN(C)C

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=149968-48-9 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.125.121 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.130.601I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/87989022 enrich_references.pubchem_compound

Elementary flows

13
Flow Context Source Unit CFs
a14cbadc-2c95-47a3-acb3-e3f0b0a3076d Environmental → Air → Aircraft cruise height EF 3.1 kg 2
bc1f381e-41d9-42e0-91f0-8e5c569e79f1 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
9b5feb05-3ab9-4a9b-aa55-58ff82fb0353 Environmental → Air → Indoor EF 3.1 kg 2
a3c7aff3-d04b-4a7c-ab0e-2dc4b6192769 Environmental → Air → Long-term EF 3.1 kg 0
8692baff-09af-46fd-862f-dd87509be539 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6cba9246-2882-478d-a520-3cd2e8e0f49f Environmental → Air → Unknown EF 3.1 kg 2
19be4cd7-b62c-4bfa-b475-1a3b9422d244 Environmental → Ground → Agricultural EF 3.1 kg 2
39b11e01-a676-4276-b86e-2836f3710ab9 Environmental → Ground → Non-agricultural EF 3.1 kg 2
5d0161da-8db6-46c7-aaae-a387a69efb6d Environmental → Ground → Unknown EF 3.1 kg 2
5fec125e-2ece-4108-b615-99d3e5e8a362 Environmental → Water → Long-term EF 3.1 kg 0
411eafcc-b189-462b-ab7a-b2a5bec13682 Environmental → Water → Ocean EF 3.1 kg 2
e921718f-3fc3-4131-9914-4395439f3aec Environmental → Water → Surface water EF 3.1 kg 2
47401a08-689f-4cc5-a2c2-e24ba84e25b3 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-db079eabd0d20320",
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  ],
  "altLabel": [
    {
      "@value": "(13Z)-N-[3-(Dimethylamino)propyl]-13-docosenamide",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(Z)-N-[3-(Dimethylamino)propyl]docos-13-enamide",
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      }
    },
    {
      "@value": "13-Docosenamide, N-[3-(dimethylamino)propyl]-, (13Z)-",
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}

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