Consensus flow list

Identity

Type
Neutral molecule
CAS
15827-60-8
EC
239-931-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for [[(phosphonomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonic Acid

Alternative labels

24

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DUYCTCQXNHFCSJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H28N3O15P5/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)
IUPAC name chemrof:IUPAC_name Phosphonic acid, [[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methyl]-
Molecular formula chemrof:molecular_formula C9H28N3O15P5
Molecular mass chemrof:molecular_mass 573.199
Monoisotopic mass chemrof:monoisotopic_mass 573.02085
SMILES string chemrof:smiles_string O=P(O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O

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=15827-60-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.036.287 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID0027775 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0Q75589TM3 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J219.842H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/85128 enrich_references.pubchem_compound
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1312549 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q3011490 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/DTPMP enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4d9f157f-2278-4d63-88a0-184ca0924cac Environmental → Air → Aircraft cruise height EF 3.1 kg 4
759a1571-bccb-408a-9d3d-b97c2e65a6e6 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
2f9ade58-e798-44e2-ad4d-93cf28bf9bf3 Environmental → Air → Indoor EF 3.1 kg 4
f10b79db-af4b-4582-a089-bebbabde8982 Environmental → Air → Long-term EF 3.1 kg 0
86856e99-6927-4040-8c15-098166fc4470 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
3c5e6af1-0e96-4608-b47d-12213bc924d1 Environmental → Air → Unknown EF 3.1 kg 4
a9debf3b-10ef-4c97-8e10-c4763a9af620 Environmental → Ground → Agricultural EF 3.1 kg 4
0b733dbe-36e1-4887-b397-d5dcfe27470c Environmental → Ground → Non-agricultural EF 3.1 kg 4
f702fd86-0c90-42f7-9573-2fbb327c3e61 Environmental → Ground → Unknown EF 3.1 kg 4
e079528d-8624-4bbf-9d44-bd0b54953686 Environmental → Water → Long-term EF 3.1 kg 0
d4d000e4-5a31-457e-a4df-f7f1c3e19ebc Environmental → Water → Ocean EF 3.1 kg 4
02564c9a-a23b-44eb-8d90-7708ddebe47a Environmental → Water → Surface water EF 3.1 kg 4
20f00e75-287b-4d5f-b56c-8714ba167525 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-eda44f906ad748d0",
  "prefLabel": [
    {
      "@value": "[[(phosphonomethyl)imino]bis[ethane-2,1-diylnitrilobis(methylene)]]tetrakisphosphonic Acid",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "Cublen D 50",
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    },
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      "@value": "Cublen DNC 450",
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      }
    },
    {
      "@value": "Dequest SPE 9505",
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      }
    },
    {
      "@value": "DETPMP",
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      }
    },
    {
      "@value": "Diethylenetriamine-N,N,N′,N′′,N′′-penta(methylenephosphonic acid)",
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      }
    },
    {
      "@value": "Diethylenetriamine-N,N,N′,N′′,N′′-pentakis(methylenephosphonic acid)",
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    },
    {
      "@value": "Diethylenetriaminepenta(methylenephosphonic acid)",
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      }
    },
    {
      "@value": "Diethylenetriaminepentakis(methylenephosphonic acid)",
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    },
    {
      "@value": "Diethylenetriaminepentakis(methylphosphonic acid)",
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      }
    },
    {
      "@value": "Diethylenetriaminopenta(methylenephosphonic acid)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DTPA-P",
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      }
    },
    {
      "@value": "DTPF",
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    },
    {
      "@value": "DTPMP",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DTPMPA",
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    },
    {
      "@value": "DTPP",
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        ],
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      }
    },
    {
      "@value": "DTPPA",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Ethylenetriaminepenta(methylenephosphonic acid)",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "P,P′,P′′,P′′′-[[(Phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis[phosphonic acid]",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphonic acid, [[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphonic acid, [[bis[2-[bis(phosphonomethyl)amino]ethyl]amino]methyl]-",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Phosphonic acid, P,P′,P′′,P′′′-[[(phosphonomethyl)imino]bis[2,1-ethanediylnitrilobis(methylene)]]tetrakis-",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sequion 40H50",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15827-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Sirrix Antox",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=15827-60-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Versenate PS",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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  ],
  "properties": {
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      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C9H28N3O15P5"
      ],
      "attested_by": {
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      },
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        },
        {
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            "O=P(O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "DUYCTCQXNHFCSJ-UHFFFAOYSA-N"
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            "O=P(O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "O=P(O)(O)CN(CCN(CP(=O)(O)O)CP(=O)(O)O)CCN(CP(=O)(O)O)CP(=O)(O)O"
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      "@value": [
        "InChI=1S/C9H28N3O15P5/c13-28(14,15)5-10(1-3-11(6-29(16,17)18)7-30(19,20)21)2-4-12(8-31(22,23)24)9-32(25,26)27/h1-9H2,(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)(H2,25,26,27)"
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      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
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      ],
      "provenance": {
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      },
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      "rdfs:label": "Molecular mass",
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