Consensus flow list

Propanenitrile, 3-[[4-[2-(4-nitrophenyl)diazenyl]phenyl](phenylmethyl)amino]-

fo-bcd79f20164f0bda

Identity

Type
Neutral molecule
CAS
96662-24-7
EC
429-530-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for Propanenitrile, 3-[[4-[2-(4-nitrophenyl)diazenyl]phenyl](phenylmethyl)amino]-

Alternative labels

7

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string AJKOAOUQPNLZTF-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C22H19N5O2/c23-15-4-16-26(17-18-5-2-1-3-6-18)21-11-7-19(8-12-21)24-25-20-9-13-22(14-10-20)27(28)29/h1-3,5-14H,4,16-17H2
IUPAC name chemrof:IUPAC_name Propanenitrile, 3-[[4-[2-(4-nitrophenyl)diazenyl]phenyl](phenylmethyl)amino]-
Molecular formula chemrof:molecular_formula C22H19N5O2
Molecular mass chemrof:molecular_mass 385.427
Monoisotopic mass chemrof:monoisotopic_mass 385.153875
SMILES string chemrof:smiles_string N#CCCN(Cc1ccccc1)c1ccc(N=Nc2ccc([N+](=O)[O-])cc2)cc1

Known URLs

5

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=96662-24-7 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00579009 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J154.035A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/15869329 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q126681645 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
4b5dd0d1-9264-4fea-ab68-e625c1976821 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
e4137e8e-80e4-4d3e-b7ee-a8f9d45bbf07 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
2b860fcf-064a-4023-9e37-ea8ac4fad5bb Environmental → Air → Indoor EF 3.1 kg 4
c4a0d8f6-05f7-4bb6-bb69-1e65721b58c2 Environmental → Air → Long-term EF 3.1 kg 0
6de01b05-2ef3-4e09-a426-106afa0c39f2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
7c927131-2c74-4014-9a92-7235d0089a75 Environmental → Air → Unknown EF 3.1 kg 4
65df4b9e-da97-479c-9d99-a5583218d4e8 Environmental → Ground → Agricultural EF 3.1 kg 4
18dcfd3b-1366-44fa-8976-5be8c7035b77 Environmental → Ground → Non-agricultural EF 3.1 kg 4
82a224c3-ad29-40d0-8c5c-5d7bf519a87b Environmental → Ground → Unknown EF 3.1 kg 4
a234eaf6-aa74-4ca6-aa57-5574df410498 Environmental → Water → Long-term EF 3.1 kg 0
33d6df37-44da-4cd9-bd32-37e6bbecee19 Environmental → Water → Ocean EF 3.1 kg 4
b3ffd9ef-8495-4803-a66d-c3f5967f4643 Environmental → Water → Surface water EF 3.1 kg 4
315d9679-cd31-4fa3-8a8e-86fe83753b80 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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}

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