Consensus flow list

Identity

Type
Neutral molecule
CAS
709-55-7
EC
211-910-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for 3-[2-(ethylamino)-1-hydroxyethyl]phenol

Alternative labels

21

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string SQVIAVUSQAWMKL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H15NO2/c1-2-11-7-10(13)8-4-3-5-9(12)6-8/h3-6,10-13H,2,7H2,1H3
IUPAC name chemrof:IUPAC_name 3-[2-(ethylamino)-1-hydroxyethyl]phenol
Molecular formula chemrof:molecular_formula C10H15NO2
Molecular mass chemrof:molecular_mass 181.235
Monoisotopic mass chemrof:monoisotopic_mass 181.110279, 181.11028
SMILES string chemrof:smiles_string CCNCC(O)c1cccc(O)c1

Known URLs

22

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=709-55-7 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:91518 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.010.829 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.030.314 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1023029 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB08985 enrich_references.pubchem_identifier_url
drugcentral drugcentral:1101 enrich_references.chebi_xrefs
drugcentral.org https://drugcentral.org/drugcard/1101 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL86882 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/ZB6F8MY53V enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0252100 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J6.942F enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D07931 enrich_references.pubchem_identifier_url
lincs.smallmolecule lincs.smallmolecule:LSM-1302 enrich_references.chebi_xrefs
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=143594 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C65576 enrich_references.pubchem_identifier_url
pharos.nih.gov https://pharos.nih.gov/ligands/L8X6QAHABAQ5 enrich_references.pubchem_identifier_url
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL86882 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/3306 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=001656 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q417873 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Etilefrine enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5bfad4d9-2be0-47fb-adf5-aebd56b3ad62 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e5f43bb6-b472-43ae-a2a6-745541144f2f Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
575a4324-77f3-4350-ab8b-125e38fa6d07 Environmental → Air → Indoor EF 3.1 kg 2
12d54735-32ff-4f3f-9c55-4aa86f8f2770 Environmental → Air → Long-term EF 3.1 kg 0
7ee2cdd0-a92b-4f81-abe3-914b0b11f694 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
78c5f96a-845a-4277-be3f-d7ebf0801413 Environmental → Air → Unknown EF 3.1 kg 2
8e0dd535-84b7-4e5b-a89f-eb53bec50e7c Environmental → Ground → Agricultural EF 3.1 kg 2
341ca9d4-2586-44fd-8473-7802c8b828ba Environmental → Ground → Non-agricultural EF 3.1 kg 2
9542894a-1e68-4953-b115-7a627fe25adc Environmental → Ground → Unknown EF 3.1 kg 2
4dca3f83-0f83-41ab-9f94-fdc28fda0bbb Environmental → Water → Long-term EF 3.1 kg 0
9d0949a2-87ca-41ee-bb87-73fbb066186c Environmental → Water → Ocean EF 3.1 kg 2
2aa3340b-380c-4e98-950c-7cc584ad0928 Environmental → Water → Surface water EF 3.1 kg 2
e61399ab-35e0-4c8c-b665-96d525d46293 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-7e8bd9b6f930b7fc",
  "prefLabel": [
    {
      "@value": "3-[2-(ethylamino)-1-hydroxyethyl]phenol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "bootstrap_labels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(±)-Etilefrin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:709-55-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=709-55-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(±)-Etilefrine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:709-55-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=709-55-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(±)-α-[(Ethylamino)methyl]-m-hydroxybenzyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:709-55-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=709-55-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-(3-Hydroxyphenyl)-2-(ethylamino)ethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:709-55-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=709-55-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzenemethanol, α-[(ethylamino)methyl]-3-hydroxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:709-55-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=709-55-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Benzyl alcohol, α-[(ethylamino)methyl]-m-hydroxy-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=709-55-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "dl-Etilefrin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_91518"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "ethyl adrianol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_91518"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "ethylphenylephrine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_91518"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "etiladrianol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_91518"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "etilefrin",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Etilefrine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=709-55-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "etilefrine HCl",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "etilefrine hydrochloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "http://purl.obolibrary.org/obo/CHEBI_91518"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "m-Hydroxy-α-(ethylaminomethyl)benzyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:709-55-7",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=709-55-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Ethylnorphenylephrine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_91518"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Racemic etilefrine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=709-55-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "S 40032-7",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=709-55-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "α-(m-Hydroxyphenyl)-β-(ethylamino)ethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=709-55-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "α-[(Ethylamino)methyl]-3-hydroxybenzenemethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=709-55-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "α-[(Ethylamino)methyl]-m-hydroxybenzyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C10H15NO2"
      ],
      "attested_by": {
        "C10H15NO2": [
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          "enrich_references.pubchem_semantic",
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      },
      "rdfs:label": "Molecular formula",
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        },
        {
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          "prov:hadPrimarySource": [
            "CCNCC(O)c1cccc(O)c1"
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    },
    "https://w3id.org/chemrof/smiles_string": {
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      "rdfs:label": "SMILES",
      "@value": [
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      "provenance": [
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      "attested_by": {
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
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        {
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    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "rdfs:label": "InChIKey",
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "@value": [
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      "attested_by": {
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      },
      "rdfs:label": "Molecular mass",
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    },
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      "rdfs:label": "Monoisotopic mass",
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        },
        {
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      ]
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