Consensus flow list

Identity

Type
Neutral molecule
CAS
1456-28-6
EC
Origin
EF 3.1 hybrid_name_cas_v1
Changes
62 across every transformer

Structure

Structure diagram for 2,6-dimethyl-N-nitrosomorpholine

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string DPYMAXOKJUBANR-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C6H12N2O2/c1-5-3-8(7-9)4-6(2)10-5/h5-6H,3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name 2,6-dimethyl-N-nitrosomorpholine, 2,6-Dimethyl-4-nitrosomorpholine
Molecular formula chemrof:molecular_formula C6H12N2O2
Molecular mass chemrof:molecular_mass 144.174
Monoisotopic mass chemrof:monoisotopic_mass 144.089878
SMILES string chemrof:smiles_string CC1CN(N=O)CC(C)O1

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=1456-28-6 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4021470 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=69924 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL164456 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.367G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15081 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q81983761 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
e3c8bede-caa1-4d7c-a8af-1c7356184e97 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e71394d6-cede-4d47-b728-ecfc33759f4d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
b056cc48-5f67-4702-b95b-26c790b02817 Environmental → Air → Indoor EF 3.1 kg 2
add6b135-9ddf-4395-bc0a-2b1ef83238a2 Environmental → Air → Long-term EF 3.1 kg 0
257899e7-3a08-4a71-9002-835a172d4d07 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
1eb12814-6968-4a19-98f5-8b2264aa3478 Environmental → Air → Unknown EF 3.1 kg 2
26b65133-3ec9-4126-97d6-397a649861f7 Environmental → Ground → Agricultural EF 3.1 kg 2
deb54cda-3fee-4542-9fd6-4c77eb33838a Environmental → Ground → Non-agricultural EF 3.1 kg 2
2c5a73e7-c4af-46d5-8291-bff99a614f07 Environmental → Ground → Unknown EF 3.1 kg 2
f89ee283-a49d-4086-9f4b-a630a2a74ccf Environmental → Water → Long-term EF 3.1 kg 0
274bcc9a-9092-4163-ac19-16ee070b1423 Environmental → Water → Ocean EF 3.1 kg 2
a35238c3-b806-4aef-9c0a-c9a455782bee Environmental → Water → Surface water EF 3.1 kg 2
9e0b8916-dd9a-41bc-873d-5b4de85f7db7 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (62 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-a2c399ded110b3ff",
  "prefLabel": [
    {
      "@value": "2,6-dimethyl-N-nitrosomorpholine",
      "@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": "2,6-Dimethyl-4-nitrosomorpholine",
      "@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=1456-28-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,6-Dimethylnitrosomorpholine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:1456-28-6",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=1456-28-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Morpholine, 2,6-dimethyl-4-nitroso-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=1456-28-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Nitroso-2,6-dimethylmorpholine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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        "C6H12N2O2"
      ],
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    },
    "https://w3id.org/chemrof/IUPAC_name": {
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      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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        "2,6-Dimethyl-4-nitrosomorpholine": [
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      }
    },
    "https://w3id.org/chemrof/molecular_mass": {
      "@id": "https://w3id.org/chemrof/molecular_mass",
      "rdfs:label": "Molecular mass",
      "@value": [
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      ],
      "provenance": [
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        }
      ],
      "attested_by": {
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        ]
      },
      "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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      ],
      "attested_by": {
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      },
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    }
  },
  "references": [
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  "created_from": {
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    "seed_uuid": "1eb12814-6968-4a19-98f5-8b2264aa3478",
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  "classifications": {
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  "parent_flow_object_id": null,
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  "@type": [
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}

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