Consensus flow list

Identity

Type
Neutral molecule
CAS
298692-41-8
EC
620-216-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Propan-2-yl N-(diaminophosphoryl)carbamate

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZARZBWDSUPTESR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H12N3O3P/c1-3(2)10-4(8)7-11(5,6)9/h3H,1-2H3,(H5,5,6,7,8,9)
IUPAC name chemrof:IUPAC_name Propan-2-yl N-(diaminophosphoryl)carbamate
Molecular formula chemrof:molecular_formula C4H12N3O3P
Molecular mass chemrof:molecular_mass 181.132
Monoisotopic mass chemrof:monoisotopic_mass 181.061628
SMILES string chemrof:smiles_string CC(C)OC(=O)NP(N)(N)=O

Known URLs

5

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=298692-41-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.120.206 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID301200630 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15462548 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126604435 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
5adcd743-df27-45cb-84e5-9f42aa5f62b7 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
ac286b23-1abc-47fb-b7d8-0115b9e923d0 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
2b173c8a-eb08-4566-9c86-77c8e3abc0a7 Environmental → Air → Indoor EF 3.1 kg 4
09b0afd0-8cf2-429b-bd88-a94045ee4411 Environmental → Air → Long-term EF 3.1 kg 0
4b00fd1d-1cf8-4f6d-bff0-2b72da004c3b Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
ac16d6ef-7537-4ef2-a6ed-d9c3cd3a56af Environmental → Air → Unknown EF 3.1 kg 4
f031e23c-bc9f-49ee-945b-3e54d202b987 Environmental → Ground → Agricultural EF 3.1 kg 4
ea52f520-ddcf-4d28-9cad-2cc10f683c0b Environmental → Ground → Non-agricultural EF 3.1 kg 4
878288c7-8702-464d-b91d-44bd4b85b4ee Environmental → Ground → Unknown EF 3.1 kg 4
8ed7f57e-e8dd-4311-a8ea-e5f823f2afd3 Environmental → Water → Long-term EF 3.1 kg 0
125d70eb-8310-4127-8eb7-041ead8524a7 Environmental → Water → Ocean EF 3.1 kg 4
6c033f93-5c5e-4bc8-bde2-e7d0d440350f Environmental → Water → Surface water EF 3.1 kg 4
4380c601-32e4-4935-ab71-abb6222dfdff Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-8286914dc66a1a21",
  "prefLabel": [
    {
      "@value": "Propan-2-yl N-(diaminophosphoryl)carbamate",
      "@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": "Carbamic acid, (diaminophosphinyl)-, 1-methylethyl ester",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:298692-41-8",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=298692-41-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
    "https://w3id.org/chemrof/molecular_formula": {
      "@id": "https://w3id.org/chemrof/molecular_formula",
      "@value": [
        "C4H12N3O3P"
      ],
      "attested_by": {
        "C4H12N3O3P": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:15462548"
          ],
          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)OC(=O)NP(N)(N)=O"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/inchi2d_key_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_key_string",
      "@value": [
        "ZARZBWDSUPTESR-UHFFFAOYSA-N"
      ],
      "attested_by": {
        "ZARZBWDSUPTESR-UHFFFAOYSA-N": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "InChIKey",
      "provenance": [
        {
          "prov:wasGeneratedBy": "enrich_references.pubchem_semantic",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CID:15462548"
          ],
          "prov:wasDerivedFrom": "pubchem.props.InChIKey"
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)OC(=O)NP(N)(N)=O"
          ]
        }
      ]
    },
    "https://w3id.org/chemrof/smiles_string": {
      "@id": "https://w3id.org/chemrof/smiles_string",
      "rdfs:label": "SMILES",
      "@value": [
        "CC(C)OC(=O)NP(N)(N)=O"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Propan-2-yl N-(diaminophosphoryl)carbamate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)OC(=O)NP(N)(N)=O"
          ]
        }
      ],
      "attested_by": {
        "CC(C)OC(=O)NP(N)(N)=O": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C4H12N3O3P/c1-3(2)10-4(8)7-11(5,6)9/h3H,1-2H3,(H5,5,6,7,8,9)"
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "opsin_iupac",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "Propan-2-yl N-(diaminophosphoryl)carbamate"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)OC(=O)NP(N)(N)=O"
          ]
        }
      ],
      "attested_by": {
        "InChI=1S/C4H12N3O3P/c1-3(2)10-4(8)7-11(5,6)9/h3H,1-2H3,(H5,5,6,7,8,9)": [
          "opsin_iupac",
          "rdkit_post_consensus"
        ]
      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
        "Propan-2-yl N-(diaminophosphoryl)carbamate"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "opsin_iupac",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "Propan-2-yl N-(diaminophosphoryl)carbamate"
        ]
      },
      "attested_by": {
        "Propan-2-yl N-(diaminophosphoryl)carbamate": [
          "opsin_iupac"
        ]
      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
        181.132
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)OC(=O)NP(=O)(N)N"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)OC(=O)NP(N)(N)=O"
          ]
        }
      ],
      "attested_by": {
        "181.132": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
        181.061628
      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)OC(=O)NP(=O)(N)N"
          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CC(C)OC(=O)NP(N)(N)=O"
          ]
        }
      ],
      "attested_by": {
        "181.061628": [
          "rdkit_post_consensus",
          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "https://chem.echa.europa.eu/100.120.206",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15462548;CAS:298692-41-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[298692-41-8]"
      }
    },
    {
      "@id": "https://commonchemistry.cas.org/detail?cas_rn=298692-41-8",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15462548;CAS:298692-41-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[298692-41-8]"
      }
    },
    {
      "@id": "https://comptox.epa.gov/dashboard/DTXSID301200630",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15462548;CAS:298692-41-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[298692-41-8]"
      }
    },
    {
      "@id": "https://pubchem.ncbi.nlm.nih.gov/compound/15462548",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_compound",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15462548;CAS:298692-41-8"
        ],
        "prov:wasDerivedFrom": "pubchem.by_cas[298692-41-8]"
      }
    },
    {
      "@id": "https://www.wikidata.org/wiki/Q126604435",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CID:15462548;CAS:298692-41-8"
        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[298692-41-8]"
      }
    }
  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "09b0afd0-8cf2-429b-bd88-a94045ee4411",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
        "https://w3id.org/chemrof/NeutralMolecule"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
    }
  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
      "@value": [
        "298692-41-8"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=298692-41-8"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
          "@id": "https://commonchemistry.cas.org/detail?cas_rn=298692-41-8"
        }
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    },
    "http://semanticscience.org/resource/CHEMINF_000447": {
      "@value": [
        "620-216-4"
      ],
      "rdfs:seeAlso": [
        "https://echa.europa.eu/search-for-chemicals?query=620-216-4"
      ],
      "provenance": {
        "prov:wasGeneratedBy": "hybrid_name_cas_v1",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "ec_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

Keyboard

?
Show or hide this map
Esc
Close

More as the sections are built.