Consensus flow list

Identity

Type
Neutral molecule
CAS
3576-88-3
EC
222-695-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N~2~-(4,6-diamino-1,3,5-triazin-2-yl)-1,3,5-triazine-2,4,6-triamine

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YZEZMSPGIPTEBA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H9N11/c7-1-11-2(8)14-5(13-1)17-6-15-3(9)12-4(10)16-6/h(H9,7,8,9,10,11,12,13,14,15,16,17)
IUPAC name chemrof:IUPAC_name N~2~-(4,6-diamino-1,3,5-triazin-2-yl)-1,3,5-triazine-2,4,6-triamine
Molecular formula chemrof:molecular_formula C6H9N11
Molecular mass chemrof:molecular_mass 235.215
Monoisotopic mass chemrof:monoisotopic_mass 235.104239
SMILES string chemrof:smiles_string Nc1nc(N)nc(Nc2nc(N)nc(N)n2)n1

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=3576-88-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.020.632 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50957156 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/763B6VP74S enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J32.994K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/77125 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q6811137 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
50766c50-45fe-4581-a613-05d6ce4a89b1 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
fffc68b6-b744-4618-9869-1661c21b902d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
4041e70e-a177-4df1-91cb-dcc39e54087e Environmental → Air → Indoor EF 3.1 kg 2
06189462-19e6-47f7-a220-cde01b662c65 Environmental → Air → Long-term EF 3.1 kg 0
090744fd-f848-4771-823a-d24ddd8a2215 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
260a60f4-96ec-4d20-b9a4-9feafe94280e Environmental → Air → Unknown EF 3.1 kg 2
e41ff6e3-863f-42d0-befb-c280232b1159 Environmental → Ground → Agricultural EF 3.1 kg 2
2002cbfd-0106-4e9a-b44f-1639e3b95696 Environmental → Ground → Non-agricultural EF 3.1 kg 2
c710a17f-2d28-4585-9e4d-7983ddf1eedc Environmental → Ground → Unknown EF 3.1 kg 2
238d2a5c-f983-49f5-9754-943069c2b978 Environmental → Water → Long-term EF 3.1 kg 0
c07383f7-a763-4b95-b68f-706b57b9ff45 Environmental → Water → Ocean EF 3.1 kg 2
a7f48420-ba64-4bd5-b541-b885dd9e14b3 Environmental → Water → Surface water EF 3.1 kg 2
d417c0a4-3aa7-45e5-9534-738c96097a43 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-084718ff3c2e4e98",
  "prefLabel": [
    {
      "@value": "N~2~-(4,6-diamino-1,3,5-triazin-2-yl)-1,3,5-triazine-2,4,6-triamine",
      "@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": "1,3,5-Triazine-2,4,6-triamine, N-(4,6-diamino-1,3,5-triazin-2-yl)-",
      "@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=3576-88-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3,5-Triazine-2,4,6-triamine, N2-(4,6-diamino-1,3,5-triazin-2-yl)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=3576-88-3"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,2′-Iminobis(4,6-diamino-1,3,5-triazine)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "EF 3.1",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Melam",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "Melam polyphosphate",
      "@language": "en",
      "@lang": "en",
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        ],
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      }
    },
    {
      "@value": "N2-(4,6-Diamino-1,3,5-triazin-2-yl)-1,3,5-triazine-2,4,6-triamine",
      "@language": "en",
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      }
    },
    {
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  "properties": {
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    "https://w3id.org/chemrof/inchi2d_string": {
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      ],
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    "https://w3id.org/chemrof/IUPAC_name": {
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  },
  "references": [
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}

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