Consensus flow list

10-methoxy-5h-dibenzo[b,f]azepine

fo-2854504361f0fec9

Identity

Type
NeutralMolecule
CAS
4698-11-7
EC
225-172-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 10-methoxy-5h-dibenzo[b,f]azepine

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string ZKHZWXLOSIGIGZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C15H13NO/c1-17-15-10-11-6-2-4-8-13(11)16-14-9-5-3-7-12(14)15/h2-10,16H,1H3
IUPAC name chemrof:IUPAC_name 10-methoxy-5h-dibenzo[b,f]azepine
Molecular formula chemrof:molecular_formula C15H13NO
Molecular mass chemrof:molecular_mass 223.275
Monoisotopic mass chemrof:monoisotopic_mass 223.099714
SMILES string chemrof:smiles_string COC1=Cc2ccccc2Nc2ccccc21

Known URLs

8

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=4698-11-7 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.022.883 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID20196999 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3580711 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/C935IN7U43 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J297.896B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/78424 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27275341 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
ae423423-f09a-45dc-bfa7-dce1d93bda3c Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f6f108c6-908a-478f-8ad8-4e954eaeedb7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
feab7e04-69be-432d-8fde-3ed0037a3036 Environmental → Air → Indoor EF 3.1 kg 2
8f8199b7-066a-4ae8-a9bc-19df57494217 Environmental → Air → Long-term EF 3.1 kg 0
2ec2951e-1c2e-4b2b-982d-122ddab08ec7 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
b94878e9-ee5b-417b-ad30-1d94e60fa61c Environmental → Air → Unknown EF 3.1 kg 2
166327a0-f42d-4056-990d-e9702ab7f7c0 Environmental → Ground → Agricultural EF 3.1 kg 2
6c0d3dbf-7011-4b68-8d42-629c1c94df31 Environmental → Ground → Non-agricultural EF 3.1 kg 2
817838d7-ea28-43eb-a460-a01cfab4c281 Environmental → Ground → Unknown EF 3.1 kg 2
1de05d16-b2e5-4163-b514-2b54ae15f6a9 Environmental → Water → Long-term EF 3.1 kg 0
7607cc6b-52c4-459a-8dd2-568ca56e6d85 Environmental → Water → Ocean EF 3.1 kg 2
7de354b2-88d0-46a4-b0c7-2e6fe0783d5b Environmental → Water → Surface water EF 3.1 kg 2
4baac1d2-855e-46a2-9d6e-129e075749e9 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-2854504361f0fec9",
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    {
      "@value": "10-methoxy-5h-dibenzo[b,f]azepine",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "10-Methoxy-5H-dibenz[b,f]azepine",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "5H-Dibenz[b,f]azepine, 10-methoxy-",
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}

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