Consensus flow list

6'-[ethyl(3-methylbutyl)amino]-3'-methyl-2'-(phenylamino)-3h-spiro[2-benzofuran-1,9'-xanthen]-3-one

fo-acc0c87864fe063d

Identity

Type
NeutralMolecule
CAS
70516-41-5
EC
274-641-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 6'-[ethyl(3-methylbutyl)amino]-3'-methyl-2'-(phenylamino)-3h-spiro[2-benzofuran-1,9'-xanthen]-3-one

Alternative labels

15

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string HUSIBQLZEMMTCQ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C34H34N2O3/c1-5-36(18-17-22(2)3)25-15-16-28-32(20-25)38-31-19-23(4)30(35-24-11-7-6-8-12-24)21-29(31)34(28)27-14-10-9-13-26(27)33(37)39-34/h6-16,19-22,35H,5,17-18H2,1-4H3
IUPAC name chemrof:IUPAC_name 6'-[ethyl(3-methylbutyl)amino]-3'-methyl-2'-(phenylamino)-3h-spiro[2-benzofuran-1,9'-xanthen]-3-one
Molecular formula chemrof:molecular_formula C34H34N2O3
Molecular mass chemrof:molecular_mass 518.657
Monoisotopic mass chemrof:monoisotopic_mass 518.256943
SMILES string chemrof:smiles_string CCN(CCC(C)C)c1ccc2c(c1)Oc1cc(C)c(Nc3ccccc3)cc1C21OC(=O)c2ccccc21

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=70516-41-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.067.834 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID90867922 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/Z9ZL7M98QS enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J40.649J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/112209 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27295198 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d4e43580-a03c-4de1-8187-4f0b1fc4c4da Environmental → Air → Aircraft cruise height EF 3.1 kg 4
231688f9-f4f4-45de-b9bb-c7b4ca25f503 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
bf7552b0-3d29-4eb5-ac7d-07f7f0f49472 Environmental → Air → Indoor EF 3.1 kg 4
efbeda91-eacc-4a99-8c78-f3f9f748243d Environmental → Air → Long-term EF 3.1 kg 0
013ae357-a48d-41a1-9e1f-9a873f1ee544 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
ba97aa3d-9ceb-4e02-ad3a-4f00a9c0ee0d Environmental → Air → Unknown EF 3.1 kg 4
51f6533a-c854-469d-b372-319f2db90f97 Environmental → Ground → Agricultural EF 3.1 kg 4
7d327c34-041f-4114-8b43-5b1b5cf66050 Environmental → Ground → Non-agricultural EF 3.1 kg 4
3c7951e2-3522-4579-8df1-d0bad0b42127 Environmental → Ground → Unknown EF 3.1 kg 4
f13f0619-b142-433c-ab73-85f7c2634add Environmental → Water → Long-term EF 3.1 kg 0
a74e9b3d-1dce-4d83-821a-405bcfd24b93 Environmental → Water → Ocean EF 3.1 kg 4
203c2c30-d907-455e-8015-629fec5e1476 Environmental → Water → Surface water EF 3.1 kg 4
732ec903-09ce-45ef-b0d5-bb3ccc17a9d9 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 
{
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  "altLabel": [
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      "@value": "2-Anilino-3-methyl-6-(N-ethyl-N-isoamylamino)fluoran",
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