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1,4-diazabicyclo[2.2.2]octan-2-ylmethanol

fo-f0e292e0d3937ea3

Identity

Type
Neutral molecule
CAS
76950-43-1
EC
692-731-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 1,4-diazabicyclo[2.2.2]octan-2-ylmethanol

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MPJZCYUPWINKPK-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H14N2O/c10-6-7-5-8-1-3-9(7)4-2-8/h7,10H,1-6H2
IUPAC name chemrof:IUPAC_name 1,4-diazabicyclo[2.2.2]octan-2-ylmethanol
Molecular formula chemrof:molecular_formula C7H14N2O
Molecular mass chemrof:molecular_mass 142.202
Monoisotopic mass chemrof:monoisotopic_mass 142.110613
SMILES string chemrof:smiles_string OCC1CN2CCN1CC2

Known URLs

6

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=76950-43-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.220.930 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID101020240 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.178.150G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11062492 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q126676543 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
69649b0b-a857-4acd-a012-9de1dd80c4c9 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
d9bf61e2-bff8-4c0f-afbe-d406bb9a35e3 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
45d2d933-6a50-4b0c-85e3-4d9088a57e34 Environmental → Air → Indoor EF 3.1 kg 4
4c59c9a2-d3e9-4f2a-9fea-74229038de73 Environmental → Air → Long-term EF 3.1 kg 0
935dbdfb-d4ce-45f4-b921-13092a779a7c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
80fd5acb-c21f-4242-8289-e83ae10d4c4d Environmental → Air → Unknown EF 3.1 kg 4
3bafd3dc-d0eb-401b-a146-be5c0f82d0c4 Environmental → Ground → Agricultural EF 3.1 kg 4
cd71c7f5-bd9a-47e7-83f8-1d1da106dae6 Environmental → Ground → Non-agricultural EF 3.1 kg 4
dfd391cb-701f-4201-99b5-86d95354ca26 Environmental → Ground → Unknown EF 3.1 kg 4
4b742df3-cd5d-4fee-ab18-b5d95fff22e3 Environmental → Water → Long-term EF 3.1 kg 0
c74fae56-0044-4755-a061-3d42645dc08c Environmental → Water → Ocean EF 3.1 kg 4
b5f64950-289c-4a39-b5b1-53322627beb0 Environmental → Water → Surface water EF 3.1 kg 4
d7eb6cee-a1a8-4d78-a910-13163e50b597 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-f0e292e0d3937ea3",
  "prefLabel": [
    {
      "@value": "1,4-diazabicyclo[2.2.2]octan-2-ylmethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,4-Diazabicyclo[2.2.2]octan-2-yl methanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,4-Diazabicyclo[2.2.2]octan-3-ylmethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
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      }
    },
    {
      "@value": "1,4-Diazabicyclo[2.2.2]octane-2-methanol",
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      }
    },
    {
      "@value": "2-(Hydroxymethyl)-1,4-diazabicyclo[2.2.2]octane",
      "@language": "en",
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      }
    },
    {
      "@value": "2-(Hydroxymethyl)triethylenediamine",
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}

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