6'-[ethyl(3-methylbutyl)amino]-3'-methyl-2'-(phenylamino)-3h-spiro[2-benzofuran-1,9'-xanthen]-3-one
fo-acc0c87864fe063d
Identity
- Type
- Neutral molecule
- CAS
- 70516-41-5
- EC
- 274-641-1
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
15- 2-Anilino-3-methyl-6-(N-ethyl-N-isoamylamino)fluoran
- 2′-Anilino-6′-[ethyl(3-methylbutyl)amino]-3′-methylspiro[2-benzofuran-3,9′-xanthene]-1-one
- 3-(N-Ethyl-N-isoamylamino)-6-methyl-7-anilinofluoran
- 3-(N-Ethyl-N-isoamylamino)-6-methyl-7-phenylaminofluoran
- 3-(N-Ethyl-N-isopentylamino)-6-methyl-7-anilinofluoran
- 3-(N-Isoamyl-N-ethylamino)-6-methyl-7-anilinofluoran
- 3-(N-Isopentyl-N-ethylamino)-6-methyl-7-anilinofluoran
- 3′-(N-Ethyl-N-isoamylamino)-6′-methyl-7′-(phenylamino)fluoran
- 3′-(N-Ethyl-N-isoamylamino)-6′-methyl-7′-anilinofluoran
- 6-(N-Isoamyl-N-ethylamino)-3-methyl-2-anilinofluoran
- 6′-(N-Isoamyl-N-ethylamino)-3′-methyl-2′-phenylaminofluoran
- 6′-[Ethyl(3-methylbutyl)amino]-3′-methyl-2′-(phenylamino)spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one
- S 205 Black
- Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 6′-[ethyl(3-methylbutyl)amino]-3′-methyl-2′-(phenylamino)-
- Yamada S 205
Properties
| Property | Value |
|---|---|
| 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
7Where 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 | 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)
Full record
Flow object JSON
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Something wrong here?
- This substance is published under the wrong name
- This is not that chemical
- This record is two substances, or it is a second copy of one
You do not need to run a build or clone anything. Name the record and say what your evidence is; the measurement is done for you. How contributing works