Consensus flow list

Identity

Type
NeutralMolecule
CAS
41340-36-7
EC
431-020-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-(7-ethyl-1h-indol-3-yl)ethanol

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string UVSDNCAZVSQJQA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H15NO/c1-2-9-4-3-5-11-10(6-7-14)8-13-12(9)11/h3-5,8,13-14H,2,6-7H2,1H3
IUPAC name chemrof:IUPAC_name 2-(7-ethyl-1h-indol-3-yl)ethanol
Molecular formula chemrof:molecular_formula C12H15NO
Molecular mass chemrof:molecular_mass 189.258
Monoisotopic mass chemrof:monoisotopic_mass 189.115364
SMILES string chemrof:smiles_string CCc1cccc2c(CCO)c[nH]c12

Known URLs

9

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=41340-36-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.102.933 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.129.614 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1057741 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3182675 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/JJ4LB8KM8O enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J357.718J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/198231 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72477628 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
990be3f1-3202-457a-bd74-de27d679e404 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f18e5ae1-297a-47bc-9766-d059f389219a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
7b6d93a8-8cee-4e1e-8ded-013e8b196b58 Environmental → Air → Indoor EF 3.1 kg 2
b03be166-eadf-4b05-b491-f1b2b0b0d6fe Environmental → Air → Long-term EF 3.1 kg 0
6d8c478c-3a98-4b50-a6f9-75ac2f158714 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
2546725e-2c61-49e3-b887-fd5ae43e63ba Environmental → Air → Unknown EF 3.1 kg 2
75d8b36c-13b8-4d28-9845-172a3985079e Environmental → Ground → Agricultural EF 3.1 kg 2
20b8bb84-b0fb-4d10-a18e-814fe380b869 Environmental → Ground → Non-agricultural EF 3.1 kg 2
c8b2ae2c-49ad-4f03-aa9b-4c388aacb409 Environmental → Ground → Unknown EF 3.1 kg 2
d80367cc-b9a9-4ce0-9aff-9104db447cb7 Environmental → Water → Long-term EF 3.1 kg 0
6c14d810-0424-4dc8-9bcc-234d5f0d8c76 Environmental → Water → Ocean EF 3.1 kg 2
01bfa6cc-7444-4340-9bfd-9cc5c3fb80ae Environmental → Water → Surface water EF 3.1 kg 2
fdacfa8f-9088-438a-bc9b-69dd569f5b9d Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-c6724919fc6bf728",
  "prefLabel": [
    {
      "@value": "2-(7-ethyl-1h-indol-3-yl)ethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1H-Indole-3-ethanol, 7-ethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=41340-36-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(7-Ethyl-1H-indol-3-yl)-ethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=41340-36-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(7-Ethyl-1H-indol-3-yl)ethan-1-ol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-(2-Hydroxyethyl)-7-ethylindole",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    },
    {
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    },
    {
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}

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