Consensus flow list

Tranid

fo-de89dc607ddf7f46

Identity

Type
Neutral molecule
CAS
15271-41-7
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Tranid

This substance carries 2 candidate structures; the diagram is the first one RDKit could parse, not a settled answer.

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QCQPGRMMDFIQMB-JTLQWOPJSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H12ClN3O2/c1-13-10(15)16-14-9-7-3-5(8(9)11)2-6(7)4-12/h5-8H,2-3H2,1H3,(H,13,15)/b14-9+/t5-,6-,7-,8+/m0/s1
Isomeric SMILES string chemrof:isomeric_smiles_string CNC(=O)O/N=C1\[C@H]2C[C@H](C[C@H]2C#N)[C@H]1Cl
IUPAC name chemrof:IUPAC_name (1S,2R,4R,5R,6E)-5-Chloro-6-[[[(methylamino)carbonyl]oxy]imino]bicyclo[2.2.1]heptane-2-carbonitrile
Molecular formula chemrof:molecular_formula C10H12ClN3O2
Molecular mass chemrof:molecular_mass 241.678
Monoisotopic mass chemrof:monoisotopic_mass 241.061804
SMILES string chemrof:smiles_string CNC(=O)ON=C1C(Cl)C2CC(C#N)C1C2

Known URLs

7

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=15271-41-7 enrich_references.consensus_cas_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3040304 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/01D72QQ73D enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J9.978C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/76970394 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2757 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27231423 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ff862bcf-6fb6-44cd-8b2f-726772070d12 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e79a6028-2575-4422-886f-059f7bcb2e38 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
324be31b-fd1f-459b-b00e-02bf52460cf6 Environmental → Air → Indoor EF 3.1 kg 2
9affd4b0-b3fa-4360-8346-ccd6df721b43 Environmental → Air → Long-term EF 3.1 kg 0
a401ad42-b7c7-4c29-a95d-3f942648367b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
acf43f85-fb02-47e4-873e-f9113730dad8 Environmental → Air → Unknown EF 3.1 kg 2
dcf7a36a-c9ae-48ea-865c-db6d18c09abb Environmental → Ground → Agricultural EF 3.1 kg 2
ecc23a7e-7973-474c-ab77-3049344acdaa Environmental → Ground → Non-agricultural EF 3.1 kg 2
3e66f28d-7e38-4ba0-bd85-c47aec0f9548 Environmental → Ground → Unknown EF 3.1 kg 2
4ee5af99-e19b-4dcc-abf9-3588d2522e69 Environmental → Water → Long-term EF 3.1 kg 0
c0113757-5975-4973-9fe8-dbd9fcf14d60 Environmental → Water → Ocean EF 3.1 kg 2
74446eaa-c1b9-4da0-9368-d4ed087796d2 Environmental → Water → Surface water EF 3.1 kg 2
7b8c822d-2ba2-4d1e-86f5-b33f2772c9f4 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-de89dc607ddf7f46",
  "prefLabel": [
    {
      "@value": "Tranid",
      "@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": "(1S,2R,4R,5R,6E)-5-Chloro-6-[[[(methylamino)carbonyl]oxy]imino]bicyclo[2.2.1]heptane-2-carbonitrile",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Norbornanecarbonitrile, 5-chloro-6-oxo-, O-(methylcarbamoyl)oxime, (E)-endo-2,exo-5-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]-, (1S,2R,4R,5R,6E)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bicyclo[2.2.1]heptane-2-carbonitrile, 5-chloro-6-[[[(methylamino)carbonyl]oxy]imino]-, [1S-(1α,2β,4α,5α,6E)]-",
      "@language": "en",
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  ],
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}

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