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N-nitroso-1,2,3,6-tetrahydropyridine

fo-aae1c35bb72e5eed

Identity

Type
Neutral molecule
CAS
55556-92-8
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-nitroso-1,2,3,6-tetrahydropyridine

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KIUHZRUPPGAVPY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H8N2O/c8-6-7-4-2-1-3-5-7/h1-2H,3-5H2
IUPAC name chemrof:IUPAC_name N-nitroso-1,2,3,6-tetrahydropyridine
Molecular formula chemrof:molecular_formula C5H8N2O
Molecular mass chemrof:molecular_mass 112.132
Monoisotopic mass chemrof:monoisotopic_mass 112.063663
SMILES string chemrof:smiles_string O=NN1CC=CCC1

Known URLs

8

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=55556-92-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.372.535 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID8021010 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL165213 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/54LZE776H8 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.073A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/41470 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q81983688 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
3e4d50a4-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4d9a8790-3ddd-11dd-9a56-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2fcfdcf1-8706-4a62-9719-bc9fd405b17e Environmental → Air → Indoor EF 3.1 kg 2
4d9a8790-3ddd-11dd-9a55-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9a57-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4d9a8790-3ddd-11dd-9a54-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-9a52-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-9a5b-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-9a53-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-9a59-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
fe0acd60-3ddc-11dd-a1a6-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
4d9a8790-3ddd-11dd-9a58-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
a53f7f61fbf71dbf33505668f92eb2190aa9a4ba Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
4d9a8790-3ddd-11dd-9a5a-0050c2490048 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-aae1c35bb72e5eed",
  "prefLabel": [
    {
      "@value": "N-nitroso-1,2,3,6-tetrahydropyridine",
      "@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": "1,2,3,6-Tetrahydro-1-nitrosopyridine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Nitroso-1,2,3,6-Tetrahydropyridine",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Nitroso-1,2,5,6-tetrahydropyridine",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Pyridine, 1,2,3,6-tetrahydro-1-nitroso-",
      "@language": "en",
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      "provenance": {
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    },
    {
      "@value": "Pyridine, N-Nitroso-1,2,3,6-tetrahydro-",
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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  },
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  "@type": [
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  ]
}

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