6'-(dibutylamino)-3'-methyl-2'-(phenylamino)spiro[isobenzofuran-1(3h),9-(9h)-xanthen]-3-one
fo-0800061aaad3951d
Identity
- Type
- Neutral molecule
- CAS
- 89331-94-2
- EC
- 403-830-5
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
21- 2-Anilino-3-methyl-6-(di-n-butylamino)fluoran
- 2-Anilino-3-methyl-6-(dibutylamino)fluoran
- 2-Anilino-6-di-n-butylamino-3-methylfluoran
- 2-Anilino-6-dibutylamino-3-methylfluoran
- 2-Phenylamino-3-methyl-6-(di-n-butylamino)fluorane
- 2′-Anilino-3′-methyl-6′-(dibutylamino)fluoran
- 2′-Anilino-6′-(dibutylamino)-3′-methylspiro[2-benzofuran-3,9′-xanthene]-1-one
- 3-(N,N-Dibutylamino)-6-methyl-7-anilinofluoran
- 3-Di-n-butylamino-6-methyl-7-anilinofluoran
- 3-Dibutylamino-6-methyl-7-anilinofluoran
- 3-Dibutylamino-6-methyl-7-phenylaminofluoran
- 3′-(Dibutylamino)-6′-methyl-7′-anilinofluoran
- 6′-(Dibutylamino)-3′-methyl-2′-(phenylamino)spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one
- 7-Anilino-3-(dibutylamino)-6-methylfluoran
- 7′-Anilino-3′-(dibutylamino)-6′-methylfluoran
- Chameleon Black 2
- Copikem 34
- Copikem 34 Black
- Pergascript Black 2C
- Spiro[isobenzofuran-1(3H),9′-[9H]xanthen]-3-one, 6′-(dibutylamino)-3′-methyl-2′-(phenylamino)-
- Wincon 2
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | XAAILNNJDMIMON-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C35H36N2O3/c1-4-6-19-37(20-7-5-2)26-17-18-29-33(22-26)39-32-21-24(3)31(36-25-13-9-8-10-14-25)23-30(32)35(29)28-16-12-11-15-27(28)34(38)40-35/h8-18,21-23,36H,4-7,19-20H2,1-3H3 |
| IUPAC name chemrof:IUPAC_name | 2′-Anilino-6′-(dibutylamino)-3′-methylspiro[2-benzofuran-3,9′-xanthene]-1-one |
| Molecular formula chemrof:molecular_formula | C35H36N2O3 |
| Molecular mass chemrof:molecular_mass | 532.684 |
| Monoisotopic mass chemrof:monoisotopic_mass | 532.272593 |
| SMILES string chemrof:smiles_string | CCCCN(CCCC)c1ccc2c(c1)Oc1cc(C)c(Nc3ccccc3)cc1C21OC(=O)c2ccccc21 |
Known URLs
8Where 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=89331-94-2 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.100.553 | enrich_references.pubchem_identifier_url |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.115.292 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID3029817 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/2H1E1033W1 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J60.931E | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/3534526 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27894671 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 774b3175-32df-4b6d-8922-bd562ff63e12 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 90823b44-7381-4501-aff5-6e86583fafe5 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| a21664a7-acd6-4a56-ad10-39be708a32a2 | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 02be5260-9bd1-4c7a-94e3-0ad85c242f92 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| b2fd438d-19aa-4e0c-862c-cb00d2bd63ad | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 114f656f-bbf7-476e-b093-84d6311dbd91 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| e8a80c40-01b8-4307-9c60-da99ae1dc2d0 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| db2adf81-ed20-4d45-a78b-7346dad2bd8d | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| d2f21c04-3c3b-44f0-bfbf-96d1ec1cc7cc | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 7e6d369a-7e0f-4ff3-a167-bf257fa35df2 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 65690cd9-f01c-4701-aac3-17d338835b58 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| f8b50eb2-7860-4fdd-8856-5b1b65a1464b | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| df37136f-30ef-4454-9809-77803116d026 | 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