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3,3'-dicyclohexyl-1,1'-methylenebis(4,1-phenylene)diurea

fo-c8b50105373cdeab

Identity

Type
Neutral molecule
CAS
58890-25-8
EC
406-370-3
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3,3'-dicyclohexyl-1,1'-methylenebis(4,1-phenylene)diurea

Alternative labels

3

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string SGXPOLBQSKXTKY-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C27H36N4O2/c32-26(28-22-7-3-1-4-8-22)30-24-15-11-20(12-16-24)19-21-13-17-25(18-14-21)31-27(33)29-23-9-5-2-6-10-23/h11-18,22-23H,1-10,19H2,(H2,28,30,32)(H2,29,31,33)
IUPAC name chemrof:IUPAC_name 3,3'-dicyclohexyl-1,1'-methylenebis(4,1-phenylene)diurea
Molecular formula chemrof:molecular_formula C27H36N4O2
Molecular mass chemrof:molecular_mass 448.611
Monoisotopic mass chemrof:monoisotopic_mass 448.283826
SMILES string chemrof:smiles_string O=C(Nc1ccc(Cc2ccc(NC(=O)NC3CCCCC3)cc2)cc1)NC1CCCCC1

Known URLs

9

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=58890-25-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.797 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.109.470 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90326423 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=527816 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/3LCH6WU7RB enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.440.274D enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/352756 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q82087365 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
9e7a0dab-125f-4f0d-84a9-2210bff46d12 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3080bff5-ee55-46b1-8a9a-db317d7febaa Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
d3340812-bfb5-44ed-9e6c-e8d2c27a1d46 Environmental → Air → Indoor EF 3.1 kg 2
109f9edb-1381-4e2e-9424-d5a3c938ec0c Environmental → Air → Long-term EF 3.1 kg 0
5bc7e1c0-403e-4e95-a4f5-e6b08dd2015a Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
48ad1443-5d78-428a-abb7-2282fee97868 Environmental → Air → Unknown EF 3.1 kg 2
52d29acf-8449-4aae-bf53-ad4c2a744ca2 Environmental → Ground → Agricultural EF 3.1 kg 2
103e0f30-f574-4729-998f-2f8931db8a01 Environmental → Ground → Non-agricultural EF 3.1 kg 2
8bdc9f8f-e4a6-474e-ac0b-cb632eda3b4f Environmental → Ground → Unknown EF 3.1 kg 2
7ea1e4c7-ae86-423c-91e6-654a78c324d8 Environmental → Water → Long-term EF 3.1 kg 0
ad5d5fe6-10eb-4c4a-b505-ebf0caf12b40 Environmental → Water → Ocean EF 3.1 kg 2
f511ed8e-9dac-45fc-be21-b28844571fb3 Environmental → Water → Surface water EF 3.1 kg 2
1673c0a5-b967-4117-952e-dc0aaa0c6214 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-c8b50105373cdeab",
  "prefLabel": [
    {
      "@value": "3,3'-dicyclohexyl-1,1'-methylenebis(4,1-phenylene)diurea",
      "@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": "N,N′′-(Methylenedi-4,1-phenylene)bis[N′-cyclohexylurea]",
      "@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=58890-25-8"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Urea, 1,1′-(methylenedi-p-phenylene)bis[3-cyclohexyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Urea, N,N′′-(methylenedi-4,1-phenylene)bis[N′-cyclohexyl-",
      "@language": "en",
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      }
    }
  ],
  "properties": {
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        "C27H36N4O2"
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}

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