Brightway Flows 1.0
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Identity

Type
Neutral molecule
CAS
337906-36-2
EC
679-526-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,4-benzenediamine, 2-(methoxymethyl)-

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AVKBLCWBDLLVRL-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H12N2O/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4H,5,9-10H2,1H3
IUPAC name chemrof:IUPAC_name 1,4-benzenediamine, 2-(methoxymethyl)-
Molecular formula chemrof:molecular_formula C8H12N2O
Molecular mass chemrof:molecular_mass 152.197
Monoisotopic mass chemrof:monoisotopic_mass 152.094963
SMILES string chemrof:smiles_string COCc1cc(N)ccc1N

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=337906-36-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.204.505 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID50187451 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5982W4U40M enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.481.507K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/9793859 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q27261675 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
86254bf8-4cf4-4ea2-956c-2a7f74e17ba1 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
7b9ce674-ed1b-44ed-b08a-3fa7d6a335a4 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
56b73782-1206-41f6-a1b4-d6620cdc1911 Environmental → Air → Indoor EF 3.1 kg 2
42afbd19-88cc-40a2-ae5b-6089ecf94231 Environmental → Air → Long-term EF 3.1 kg 0
07a50bc9-a3ec-4122-8efa-f2bb6e50608a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
dfd1c100-a502-45b7-99ef-a21a6099f574 Environmental → Air → Unknown EF 3.1 kg 2
ed324956-c202-405c-a717-f9e0ca83f3f9 Environmental → Ground → Agricultural EF 3.1 kg 2
2e629d10-6c50-4a68-b82c-143117ef0562 Environmental → Ground → Non-agricultural EF 3.1 kg 2
9b06c43f-7e43-4b25-b320-af3a55b3defc Environmental → Ground → Unknown EF 3.1 kg 2
73be5525-cff1-47c4-aa19-256d788d4c60 Environmental → Water → Long-term EF 3.1 kg 0
ec39d916-3fd2-4c30-b2cf-49eb64fb710f Environmental → Water → Ocean EF 3.1 kg 2
cf760303-0944-4fd0-ac14-b2df649a9f96 Environmental → Water → Surface water EF 3.1 kg 2
08922f8c-4ac3-48a9-9ad4-f601effd33e6 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-537814f085d18ad0",
  "prefLabel": [
    {
      "@value": "1,4-benzenediamine, 2-(methoxymethyl)-",
      "@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": "1,4-Diamino-2-(methoxymethyl)benzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:337906-36-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=337906-36-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-(Methoxymethyl)-1,4-benzenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:337906-36-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=337906-36-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methoxymethyl-1,4-benzenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:337906-36-2",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=337906-36-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methoxymethyl-1,4-diaminobenzene",
      "@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=337906-36-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methoxymethyl-1,4-phenylenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=337906-36-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methoxymethyl-p-phenylenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methoxymethyl-para-phenylenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "C8H12N2O"
      ],
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        ]
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    },
    "https://w3id.org/chemrof/smiles_string": {
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        },
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          "prov:hadPrimarySource": [
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      ],
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    },
    "https://w3id.org/chemrof/inchi2d_string": {
      "@id": "https://w3id.org/chemrof/inchi2d_string",
      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C8H12N2O/c1-11-5-6-4-7(9)2-3-8(6)10/h2-4H,5,9-10H2,1H3"
      ],
      "provenance": [
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      ],
      "attested_by": {
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      }
    },
    "https://w3id.org/chemrof/IUPAC_name": {
      "@id": "https://w3id.org/chemrof/IUPAC_name",
      "rdfs:label": "IUPAC name",
      "@value": [
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      ],
      "provenance": {
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      },
      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      "rdfs:label": "Molecular mass",
      "@value": [
        152.197
      ],
      "provenance": [
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        },
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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": {
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      "@value": [
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          ]
        }
      ],
      "attested_by": {
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          "rdkit_post_consensus",
          "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=J3.481.507K",
      "provenance": {
        "prov:wasGeneratedBy": "enrich_references.pubchem_identifier_url",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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  ],
  "created_from": {
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    "seed_uuid": "07a50bc9-a3ec-4122-8efa-f2bb6e50608a",
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    "semantic_typing": {
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  "classifications": {
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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  ]
}

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