Consensus flow list

Identity

Type
Neutral molecule
CAS
102-56-7
EC
203-040-9
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2,5-dimethoxyaniline

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NAZDVUBIEPVUKE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H11NO2/c1-10-6-3-4-8(11-2)7(9)5-6/h3-5H,9H2,1-2H3
IUPAC name chemrof:IUPAC_name 2,5-dimethoxyaniline
Molecular formula chemrof:molecular_formula C8H11NO2
Molecular mass chemrof:molecular_mass 153.181
Monoisotopic mass chemrof:monoisotopic_mass 153.078979
SMILES string chemrof:smiles_string COc1ccc(OC)c(N)c1

Known URLs

11

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=102-56-7 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=88374-66-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.002.765 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4059257 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=4138 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1616799 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/V3Z5U3FL10 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J55.364F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7613 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=019959 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27291505 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
41a12f91-7b2d-4e72-a3dd-1ee9c3eb294e Environmental → Air → Aircraft cruise height EF 3.1 kg 2
74a3aaa4-970a-465d-91ab-c11e31ccc3bd Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
9574571b-8d47-42d2-89bb-8f7fda13150f Environmental → Air → Indoor EF 3.1 kg 2
bc12b6fa-14df-4bda-b598-22358a2ce26c Environmental → Air → Long-term EF 3.1 kg 0
76662081-b5d0-4fe0-903f-4fc298400f4c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
7b6776d6-0b01-41c8-be4d-193f80660558 Environmental → Air → Unknown EF 3.1 kg 2
8522f54e-86db-44e8-a9da-54171963a7f1 Environmental → Ground → Agricultural EF 3.1 kg 2
bd0d55be-bcf4-4ec6-b3e4-7c11ac78d80e Environmental → Ground → Non-agricultural EF 3.1 kg 2
08daf28d-3de5-40fd-88e8-b70d159702d8 Environmental → Ground → Unknown EF 3.1 kg 2
b9934727-980e-4bcc-8bc2-52cc29c783b6 Environmental → Water → Long-term EF 3.1 kg 0
2a8c7067-a871-4f92-820f-f463c003f680 Environmental → Water → Ocean EF 3.1 kg 2
feae09b8-3022-4f26-ac18-3fcedfe17993 Environmental → Water → Surface water EF 3.1 kg 2
dfba5f38-9c14-4364-b387-032e86053b07 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-7be760555c84ec11",
  "prefLabel": [
    {
      "@value": "2,5-dimethoxyaniline",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-Amino-2,5-dimethoxybenzene",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=102-56-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,5-Dimethoxybenzenamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,5-Dimethoxylaniline",
      "@language": "en",
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          "https://commonchemistry.cas.org/detail?cas_rn=102-56-7"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2,5-Dimethoxyphenylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methoxy-5-methoxyaniline",
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    },
    {
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    {
      "@value": "Aniline, 2,5-dimethoxy-",
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    {
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}

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