Consensus flow list

Identity

Type
Molecular complex
CAS
1798-50-1
EC
217-284-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Diphenyl(piperidin-4-yl)methanol Hydrochloride

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string LBRAWKGGVUCSOX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C18H21NO.ClH/c20-18(15-7-3-1-4-8-15,16-9-5-2-6-10-16)17-11-13-19-14-12-17;/h1-10,17,19-20H,11-14H2;1H
IUPAC name chemrof:IUPAC_name Diphenyl(piperidin-4-yl)methanol Hydrochloride
Molecular formula chemrof:molecular_formula C18H22ClNO
Molecular mass chemrof:molecular_mass 303.833
Monoisotopic mass chemrof:monoisotopic_mass 303.138992
SMILES string chemrof:smiles_string Cl.OC(c1ccccc1)(c1ccccc1)C1CCNCC1

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=1798-50-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.015.714 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90170867 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL2105900 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/4BXX0XNP9R enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C76503 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15722 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/45489820 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27259389 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
641c4980-a64a-4341-9652-3e9254b1aac1 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
91eeeee2-a321-45c2-b619-8ef34a5285b7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
8bf3e7bb-e46f-4408-8da6-f7f932dd7a2b Environmental → Air → Indoor EF 3.1 kg 2
2dfe6c6b-9b4f-48df-9010-5b442e32040d Environmental → Air → Long-term EF 3.1 kg 0
3e28edb4-c807-4444-948d-f62559b03841 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
bbf59937-46d7-4c3f-8837-72ad0137174b Environmental → Air → Unknown EF 3.1 kg 2
5166c364-a7c8-495a-9920-aeb163e6726c Environmental → Ground → Agricultural EF 3.1 kg 2
6188b486-5da9-4dff-8ab2-039aa7287b86 Environmental → Ground → Non-agricultural EF 3.1 kg 2
10adb20b-b6cb-4caf-9223-c331a43d2717 Environmental → Ground → Unknown EF 3.1 kg 2
6e773e06-d56d-4647-a58b-2561c3ad0b6a Environmental → Water → Long-term EF 3.1 kg 0
ac85828c-7e0c-4136-a8bf-8b12a1b21230 Environmental → Water → Ocean EF 3.1 kg 2
f76a7541-cbe9-4e82-a156-90584ed58736 Environmental → Water → Surface water EF 3.1 kg 2
3eb0d1fd-6a1f-4396-979f-88e3063ae0f4 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-5f819ab733e3ccd6",
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    {
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      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "4-Piperidinemethanol, α,α-diphenyl-, hydrochloride",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "4-Piperidinemethanol, α,α-diphenyl-, hydrochloride (1:1)",
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      }
    },
    {
      "@value": "Diphenyl(4-piperidyl)methanol hydrochloride",
      "@language": "en",
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      "@value": "Frenquel hydrochloride",
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}

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