Consensus flow list

4,4'-diamino-1,1'-bianthracene-9,9',10,10'-tetrone

fo-519cafc425df26b2

Identity

Type
Neutral molecule
CAS
4051-63-2
EC
223-754-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 4,4'-diamino-1,1'-bianthracene-9,9',10,10'-tetrone

Alternative labels

37

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KNMQFBWXSICVQC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C28H16N2O4/c29-19-11-9-13(21-23(19)27(33)17-7-3-1-5-15(17)25(21)31)14-10-12-20(30)24-22(14)26(32)16-6-2-4-8-18(16)28(24)34/h1-12H,29-30H2
IUPAC name chemrof:IUPAC_name 4,4'-diamino-1,1'-bianthracene-9,9',10,10'-tetrone
Molecular formula chemrof:molecular_formula C28H16N2O4
Molecular mass chemrof:molecular_mass 444.446
Monoisotopic mass chemrof:monoisotopic_mass 444.111007
SMILES string chemrof:smiles_string Nc1ccc(-c2ccc(N)c3c2C(=O)c2ccccc2C3=O)c2c1C(=O)c1ccccc1C2=O

Known URLs

9

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=4051-63-2 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.021.596 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2052079 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL495865 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/66S4IFF43R enrich_references.pubchem_identifier_url
hts.usitc.gov https://hts.usitc.gov/search?query=3204.17.04.35 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J52.244I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/77669 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q24688207 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
50ecf57e-88d9-45cf-befe-8ccc8af2a051 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
f4631c4c-9821-4075-8564-1c019f1e446d Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
8a8fd3e8-a13a-4b69-b724-6ce23ffc1276 Environmental → Air → Indoor EF 3.1 kg 2
7393a2f9-3099-461a-8339-011e7ff6ca75 Environmental → Air → Long-term EF 3.1 kg 0
4a797bc1-cb4b-4952-9a4c-33d1649d6f3d Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
407c9342-333f-47c8-9665-d485cb320cf3 Environmental → Air → Unknown EF 3.1 kg 2
0b9be82f-b9ac-401a-9954-45b00737de58 Environmental → Ground → Agricultural EF 3.1 kg 2
24fdca7b-e77a-4efd-8592-38285932c553 Environmental → Ground → Non-agricultural EF 3.1 kg 2
c9c49646-d09a-4a8e-9160-de3a6819905a Environmental → Ground → Unknown EF 3.1 kg 2
43bfca81-636a-4ae0-afd8-cf64e1f82de7 Environmental → Water → Long-term EF 3.1 kg 0
1056e542-cbd4-4f0d-9838-120d20e00c1c Environmental → Water → Ocean EF 3.1 kg 2
fd30638b-72dd-4d61-a58e-1b431f5ecfa0 Environmental → Water → Surface water EF 3.1 kg 2
46be06eb-9468-4279-b203-ed56b5ae75ac Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON 
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