Consensus flow list

Identity

Type
Neutral molecule
CAS
107-58-4
EC
203-505-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-tert-butylacrylamide

Alternative labels

6

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string XFHJDMUEHUHAJW-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H13NO/c1-5-6(9)8-7(2,3)4/h5H,1H2,2-4H3,(H,8,9)
IUPAC name chemrof:IUPAC_name N-tert-butylacrylamide
Molecular formula chemrof:molecular_formula C7H13NO
Molecular mass chemrof:molecular_mass 127.187
Monoisotopic mass chemrof:monoisotopic_mass 127.099714
SMILES string chemrof:smiles_string C=CC(=O)NC(C)(C)C

Known URLs

10

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=107-58-4 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=25267-41-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.187 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1040114 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=5287 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3184503 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/XJ13FSH48K enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J66.956C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7877 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27293858 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ed96226b-48ba-4a16-8756-dd66706c1715 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
9471ed11-1994-441f-8a7c-bc93623dd213 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
516458a5-ceaf-487b-8051-75f91752014b Environmental → Air → Indoor EF 3.1 kg 2
0f6b5a4e-a1d9-4dd1-a530-0b46ba3e7cd9 Environmental → Air → Long-term EF 3.1 kg 0
10a97611-a23e-4452-ad65-1111781fd79d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4518c147-5d95-498a-8e41-7d135fdf7859 Environmental → Air → Unknown EF 3.1 kg 2
6116b436-c751-4a53-8df9-1445e6561acb Environmental → Ground → Agricultural EF 3.1 kg 2
e9bd49f5-7217-415b-a665-beb855de2d01 Environmental → Ground → Non-agricultural EF 3.1 kg 2
75295b71-711c-4ec9-884f-ab122a8d318e Environmental → Ground → Unknown EF 3.1 kg 2
07b3e3c3-153b-417a-a938-c8ecd60dfcf8 Environmental → Water → Long-term EF 3.1 kg 0
2d46309b-5282-476e-a0c9-490222d5e054 Environmental → Water → Ocean EF 3.1 kg 2
e4605767-de4f-4102-b0ed-529e4e5fe7ef Environmental → Water → Surface water EF 3.1 kg 2
f5cba846-bff4-4914-a769-52f498014d08 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-067f35ee6bc0522d",
  "prefLabel": [
    {
      "@value": "N-tert-butylacrylamide",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-Propenamide, N-(1,1-dimethylethyl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=107-58-4"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Acrylamide, N-tert-butyl-",
      "@language": "en",
      "@lang": "en",
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      }
    },
    {
      "@value": "N-(1,1-Dimethylethyl)-2-propenamide",
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      }
    },
    {
      "@value": "N-t-Butylacrylamide",
      "@language": "en",
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    },
    {
      "@value": "N-tert-Butyl-2-propenamide",
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}

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