Consensus flow list

Identity

Type
NeutralMolecule
CAS
561-41-1
EC
209-218-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Bis[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methanol

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string MAGJOSJRYKEYAZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C24H29N3O/c1-25-21-12-6-18(7-13-21)24(28,19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5/h6-17,25,28H,1-5H3
IUPAC name chemrof:IUPAC_name Bis[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methanol
Molecular formula chemrof:molecular_formula C24H29N3O
Molecular mass chemrof:molecular_mass 375.516
Monoisotopic mass chemrof:monoisotopic_mass 375.231063
SMILES string chemrof:smiles_string CNc1ccc(C(O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1

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=561-41-1 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.008.381 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.116.890 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00204642 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J39.700H enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/68414 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q83078086 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
f41a3817-5500-4f0a-b735-d72ee1e855e4 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
edea8546-07c5-4fbf-b356-f69647b92aa2 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
c0d107f1-1b20-4171-8599-d32d1f0525c2 Environmental → Air → Indoor EF 3.1 kg 4
c4f2e8c9-ea78-4326-b726-66ff44ee2f5b Environmental → Air → Long-term EF 3.1 kg 0
4f8eb59f-235d-4404-9b91-6ac11f42260c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
27b1b4a8-f874-4018-8776-1faf51b3cf27 Environmental → Air → Unknown EF 3.1 kg 4
f3e47f3c-fee4-4538-bd73-ab284d696c70 Environmental → Ground → Agricultural EF 3.1 kg 4
d74c5345-01f3-4b3a-b9d0-e7d3a6ffccd7 Environmental → Ground → Non-agricultural EF 3.1 kg 4
e076f1c3-5791-4312-95d5-70411c68bc2a Environmental → Ground → Unknown EF 3.1 kg 4
1a79c0d3-85b4-4a5c-8cee-c49760be2a22 Environmental → Water → Long-term EF 3.1 kg 0
5d315969-f8be-4c18-a236-8c9b88b0b7e9 Environmental → Water → Ocean EF 3.1 kg 4
013629f1-cfca-4d56-b1f0-4addd1d99ff3 Environmental → Water → Surface water EF 3.1 kg 4
5abaf700-67e2-40e2-8004-0dd9c5147c6c Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-a0cce40de31404fc",
  "prefLabel": [
    {
      "@value": "Bis[4-(dimethylamino)phenyl][4-(methylamino)phenyl]methanol",
      "@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": "Benzenemethanol, α,α-bis[4-(dimethylamino)phenyl]-4-(methylamino)-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "CAS:561-41-1",
          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=561-41-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "α,α-Bis[4-(dimethylamino)phenyl]-4-(methylamino)benzenemethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=561-41-1"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    }
  ],
  "properties": {
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      "@value": [
        "C24H29N3O"
      ],
      "attested_by": {
        "C24H29N3O": [
          "enrich_references.pubchem_semantic",
          "rdkit_post_consensus"
        ]
      },
      "rdfs:label": "Molecular formula",
      "provenance": [
        {
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          "prov:wasAttributedTo": "consensus-flow-list",
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          "prov:wasDerivedFrom": "pubchem.props.Molecular Formula"
        },
        {
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    "https://w3id.org/chemrof/inchi2d_key_string": {
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      "@value": [
        "MAGJOSJRYKEYAZ-UHFFFAOYSA-N"
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    "https://w3id.org/chemrof/inchi2d_string": {
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      "rdfs:label": "InChI",
      "@value": [
        "InChI=1S/C24H29N3O/c1-25-21-12-6-18(7-13-21)24(28,19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5/h6-17,25,28H,1-5H3"
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      "attested_by": {
        "InChI=1S/C24H29N3O/c1-25-21-12-6-18(7-13-21)24(28,19-8-14-22(15-9-19)26(2)3)20-10-16-23(17-11-20)27(4)5/h6-17,25,28H,1-5H3": [
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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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        "prov:hadPrimarySource": [
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        ]
      },
      "attested_by": {
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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      ],
      "provenance": [
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          ]
        },
        {
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          ]
        }
      ],
      "attested_by": {
        "375.516": [
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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": [
        375.231063
      ],
      "provenance": [
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          ]
        },
        {
          "prov:wasGeneratedBy": "rdkit_post_consensus",
          "prov:wasAttributedTo": "consensus-flow-list",
          "prov:hadPrimarySource": [
            "CNc1ccc(C(O)(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)cc1"
          ]
        }
      ],
      "attested_by": {
        "375.231063": [
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        ]
      },
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    }
  },
  "references": [
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  ],
  "created_from": {
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    "seed_uuid": "013629f1-cfca-4d56-b1f0-4addd1d99ff3",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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  "classifications": {
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  "parent_flow_object_id": null,
  "parent_intervention_id": null,
  "@type": [
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}

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