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Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-n-methyl-, Acetate (1:1)

fo-f11bfd1f5b8c18ec

Identity

Type
Chemical salt
CAS
41272-40-6
EC
255-288-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-n-methyl-, Acetate (1:1)

Alternative labels

2

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string VPJMOSKUCQUJHU-UHFFFAOYSA-M
InChI2D string chemrof:inchi2d_string InChI=1S/C23H25N2.C2H4O2/c1-24(2)21-14-10-19(11-15-21)23(18-8-6-5-7-9-18)20-12-16-22(17-13-20)25(3)4;1-2(3)4/h5-17H,1-4H3;1H3,(H,3,4)/q+1;/p-1
IUPAC name chemrof:IUPAC_name Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-n-methyl-, Acetate (1:1)
Molecular formula chemrof:molecular_formula C25H28N2O2
Molecular mass chemrof:molecular_mass 388.511
Monoisotopic mass chemrof:monoisotopic_mass 388.215078
SMILES string chemrof:smiles_string CC(=O)[O-].CN(C)c1ccc(C(=C2C=CC(=[N+](C)C)C=C2)c2ccccc2)cc1

Known URLs

5

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=41272-40-6 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.050.245 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9068295 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/162459 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q72508334 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
47f32911-b05e-48b1-bd4b-c7c0ba00327d Environmental → Air → Aircraft cruise height EF 3.1 kg 4
c36f7cd8-5d1a-473a-8b6b-e485846bc682 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
c9bccd77-fdd3-4d82-a76a-c83fee91c40a Environmental → Air → Indoor EF 3.1 kg 4
be88d8e4-1d5f-4e2e-b199-cf222dce2232 Environmental → Air → Long-term EF 3.1 kg 0
94254576-c6e3-447c-89ee-7767ca40353e Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
06afb99f-829f-45d4-8adc-3a6abf90fa37 Environmental → Air → Unknown EF 3.1 kg 4
96bedbd8-b77f-43a1-b3f1-a5bef03629b6 Environmental → Ground → Agricultural EF 3.1 kg 4
25ea530d-7ee8-4e52-be3d-712bd48f0fcf Environmental → Ground → Non-agricultural EF 3.1 kg 4
50361088-6291-4a23-999d-8f3fa8490291 Environmental → Ground → Unknown EF 3.1 kg 4
c265a14e-ff54-4ae1-830a-605458ef0f4a Environmental → Water → Long-term EF 3.1 kg 0
45735cb7-8b33-4d8c-84f0-20559bec7430 Environmental → Water → Ocean EF 3.1 kg 4
aa6321d4-b22e-4a27-a477-cb9ff4c87e15 Environmental → Water → Surface water EF 3.1 kg 4
594ddd82-5e13-4001-97fb-b945559bd9f7 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-f11bfd1f5b8c18ec",
  "prefLabel": [
    {
      "@value": "Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-n-methyl-, Acetate (1:1)",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "Malachite green acetate",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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    {
      "@value": "Methanaminium, N-[4-[[4-(dimethylamino)phenyl]phenylmethylene]-2,5-cyclohexadien-1-ylidene]-N-methyl-, acetate",
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    "https://w3id.org/chemrof/monoisotopic_mass": {
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  "classifications": {
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}

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