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N-ethyl-n'-nitro-n-nitrosoguanidine

fo-fe859498ef02dbb5

Identity

Type
Neutral molecule
CAS
63885-23-4
EC
—
Origin
EF 3.1 hybrid_name_cas_v1
Changes
52 across every transformer

Structure

Structure diagram for N-ethyl-n'-nitro-n-nitrosoguanidine

Alternative labels

1

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OHDJGZUFFIQWCM-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H7N5O3/c1-2-5-3(4)7(6-9)8(10)11/h2H2,1H3,(H2,4,5)
IUPAC name chemrof:IUPAC_name 2-ethyl-1-nitro-1-nitroso-guanidine, 2-ethyl-1-nitro-1-nitrosoguanidine
Molecular formula chemrof:molecular_formula C3H7N5O3
Molecular mass chemrof:molecular_mass 161.121
Monoisotopic mass chemrof:monoisotopic_mass 161.054889
SMILES string chemrof:smiles_string CCN=C(N)N(N=O)[N+](=O)[O-]

Known URLs

6

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=63885-23-4 enrich_references.consensus_cas_link
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3020592 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6RVG88NUX2 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J156.690C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/93349 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q61718221 enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
3e4d77a2-6556-11dd-ad8b-0800200c9a66 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4d9a8790-3ddd-11dd-950b-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
316b1dfc-477d-4ccb-9ae0-8d1e2f0481de Environmental → Air → Indoor EF 3.1 kg 2
4d9a8790-3ddd-11dd-950a-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-950c-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4d9a8790-3ddd-11dd-9509-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-9507-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-9510-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 2
4d9a8790-3ddd-11dd-9508-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 2
4d9a8790-3ddd-11dd-950e-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
4d9a8790-3ddd-11dd-9511-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 2
4d9a8790-3ddd-11dd-950d-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 2
74973ac8c758e3b95260f8d4b06b8bbbdbc4349b Environmental → Water → Unconfined aquifer stepwise algorithm addition kg 0
4d9a8790-3ddd-11dd-950f-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (52 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-fe859498ef02dbb5",
  "prefLabel": [
    {
      "@value": "N-ethyl-n'-nitro-n-nitrosoguanidine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Nitrosoguanidine, N-ethyl-N'-nitro-N-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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      }
    }
  ],
  "properties": {
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        "C3H7N5O3"
      ],
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
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      "rdfs:label": "InChIKey",
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    },
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    },
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      ],
      "attested_by": {
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        ]
      },
      "rdfs:label": "InChI",
      "provenance": [
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          "prov:wasDerivedFrom": "pubchem.props.InChI"
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        }
      ]
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "@value": [
        "2-ethyl-1-nitro-1-nitroso-guanidine",
        "2-ethyl-1-nitro-1-nitrosoguanidine"
      ],
      "attested_by": {
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        ],
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        ]
      },
      "rdfs:label": "IUPAC name",
      "provenance": {
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        ],
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      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
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      ],
      "provenance": [
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        },
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
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          ]
        }
      ],
      "attested_by": {
        "161.121": [
          "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": [
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      ],
      "provenance": [
        {
          "prov:wasGeneratedBy": "rdkit_pre_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
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        },
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          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CCN=C(N)N(N=O)[N+](=O)[O-]"
          ]
        }
      ],
      "attested_by": {
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          "rdkit_pre_consensus"
        ]
      },
      "http://qudt.org/schema/qudt/hasUnit": "https://vocab.brightway.one/units/unit/GM-PER-MOL"
    }
  },
  "references": [
    {
      "@id": "http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J156.690C",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "pubchem.identifiers[63885-23-4]"
      }
    },
    {
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      "provenance": {
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "cas_numbers"
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    },
    {
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    },
    {
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        "prov:wasDerivedFrom": "pubchem.by_cas[63885-23-4]"
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    },
    {
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        "prov:wasDerivedFrom": "pubchem.identifiers[63885-23-4]"
      }
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "316b1dfc-477d-4ccb-9ae0-8d1e2f0481de",
    "seed_source": "EF 3.1",
    "semantic_typing": {
      "rule": "neutral_molecule",
      "reason": "",
      "types": [
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      ],
      "provenance": {
        "prov:wasGeneratedBy": "semantic_typing.classify",
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        "prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
      }
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  },
  "classifications": {
    "http://semanticscience.org/resource/CHEMINF_000446": {
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        "63885-23-4"
      ],
      "rdfs:seeAlso": [
        "https://commonchemistry.cas.org/detail?cas_rn=63885-23-4"
      ],
      "http://www.w3.org/2004/02/skos/core#exactMatch": [
        {
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        }
      ],
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "cas_numbers"
      }
    }
  },
  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
    "https://w3id.org/chemrof/NeutralMolecule"
  ]
}

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