1,4-bis[(2,6-diethyl-4-methylphenyl)amino]-9,10-anthraquinone
fo-96c23fc6e5445781
Identity
- Type
- Neutral molecule
- CAS
- 32724-62-2
- EC
- 251-178-3
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 54 across every transformer
Structure
Alternative labels
14- 1,4-Bis(2,6-diethyl-4-methylanilino)anthraquinone
- 1,4-Bis[(2,6-diethyl-4-methylphenyl)amino]-9,10-anthracenedione
- 1,4-Bis[(2,6-diethyl-4-methylphenyl)amino]anthracene-9,10-dione
- 1,4-Bis[(2,6-diethyl-4-methylphenyl)amino]anthraquinone
- 9,10-Anthracenedione, 1,4-bis[(2,6-diethyl-4-methylphenyl)amino]-
- Anthraquinone, 1,4-bis(2,6-diethyl-p-toluidino)-
- C.I. Solvent Blue 97
- KP Plast Blue R
- M-Blue 2R
- Macrolex Blue 2R
- Macrolex Blue RR
- Macrolex Blue RR Gran
- N,N′-Bis(2,6-diethyl-4-methylphenyl)-1,4-diaminoanthraquinone
- Solvent Blue 97
Properties
| Property | Value |
|---|---|
| InChI2D key string chemrof:inchi2d_key_string | IBABXJRXGSAJLQ-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C36H38N2O2/c1-7-23-17-21(5)18-24(8-2)33(23)37-29-15-16-30(38-34-25(9-3)19-22(6)20-26(34)10-4)32-31(29)35(39)27-13-11-12-14-28(27)36(32)40/h11-20,37-38H,7-10H2,1-6H3 |
| IUPAC name chemrof:IUPAC_name | 1,4-bis[(2,6-diethyl-4-methylphenyl)amino]-9,10-anthraquinone |
| Molecular formula chemrof:molecular_formula | C36H38N2O2 |
| Molecular mass chemrof:molecular_mass | 530.712 |
| Monoisotopic mass chemrof:monoisotopic_mass | 530.293328 |
| SMILES string chemrof:smiles_string | CCc1cc(C)cc(CC)c1Nc1ccc(Nc2c(CC)cc(C)cc2CC)c2c1C(=O)c1ccccc1C2=O |
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=32724-62-2 | enrich_references.consensus_cas_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.046.511 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID5067710 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/473B173459 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J319.441H | enrich_references.pubchem_identifier_url |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/122937 | enrich_references.pubchem_compound |
| Wikidata | https://www.wikidata.org/wiki/Q27258998 | enrich_references.pubchem_identifier_url |
Elementary flows
13| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| 183f08f4-fb17-4dca-bdf0-6ce8cdbddf20 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 2 |
| 70287aea-df49-49ab-a142-f8f9d269bd46 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 2 |
| e51ebd47-2fb7-4f2a-bd39-cff921f7e8ea | Environmental → Air → Indoor | EF 3.1 | kg | 2 |
| 2bb0fb52-f116-44db-bd31-961997f1cfbb | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| ef9d6c80-6d7e-4bfe-b599-3b2801027538 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 2 |
| 82486585-27fe-451e-9f5f-4570a0ec604f | Environmental → Air → Unknown | EF 3.1 | kg | 2 |
| 3f2eaed7-a25e-4f95-b5c6-d572444c93da | Environmental → Ground → Agricultural | EF 3.1 | kg | 2 |
| 0aaf040d-1b57-4f46-a865-f8145d26b0e2 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 2 |
| 408b5293-5d31-449e-a5c1-62bab50a99fb | Environmental → Ground → Unknown | EF 3.1 | kg | 2 |
| 360a1d4b-0b19-4be3-81f2-aa28f16e1adb | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| a4c36e65-190e-46cc-a830-9fc6a07d28eb | Environmental → Water → Ocean | EF 3.1 | kg | 2 |
| efe8f6c9-d4be-4e2c-96de-c09f831027c3 | Environmental → Water → Surface water | EF 3.1 | kg | 2 |
| f71beac2-8f01-4baa-b9ef-9d397106e42b | Environmental → Water → Unknown | EF 3.1 | kg | 2 |
History
Everything that changed this substance (54 changes)
Full record
Flow object JSON
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"seed_uuid": "0aaf040d-1b57-4f46-a865-f8145d26b0e2",
"seed_source": "EF 3.1",
"semantic_typing": {
"rule": "neutral_molecule",
"reason": "",
"types": [
"https://w3id.org/chemrof/NeutralMolecule"
],
"provenance": {
"prov:wasGeneratedBy": "semantic_typing.classify",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:wasDerivedFrom": "semantic_typing.rule.neutral_molecule"
}
}
},
"classifications": {
"http://semanticscience.org/resource/CHEMINF_000446": {
"@value": [
"32724-62-2"
],
"rdfs:seeAlso": [
"https://commonchemistry.cas.org/detail?cas_rn=32724-62-2"
],
"http://www.w3.org/2004/02/skos/core#exactMatch": [
{
"@id": "https://commonchemistry.cas.org/detail?cas_rn=32724-62-2"
}
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "cas_numbers"
}
},
"http://semanticscience.org/resource/CHEMINF_000447": {
"@value": [
"251-178-3"
],
"rdfs:seeAlso": [
"https://echa.europa.eu/search-for-chemicals?query=251-178-3"
],
"provenance": {
"prov:wasGeneratedBy": "hybrid_name_cas_v1",
"prov:wasAttributedTo": "consensus-flow-list",
"prov:hadPrimarySource": [
"EF 3.1"
],
"prov:wasDerivedFrom": "ec_numbers"
}
}
},
"origin_qualifier": null,
"parent_flow_object_id": null,
"parent_intervention_id": null,
"@type": [
"https://w3id.org/chemrof/NeutralMolecule"
]
}
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