Consensus flow list

N-(5-(bis(2-methoxyethyl)amino)-2-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenylacetamide

fo-7e4d51d99f309cbe

Identity

Type
NeutralMolecule
CAS
105076-77-5
EC
402-430-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N-(5-(bis(2-methoxyethyl)amino)-2-((5-nitro-2,1-benzisothiazol-3-yl)azo)phenylacetamide

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string QBCBEQSWSOZGPB-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C21H24N6O5S/c1-14(28)22-20-13-15(26(8-10-31-2)9-11-32-3)4-7-19(20)23-24-21-17-12-16(27(29)30)5-6-18(17)25-33-21/h4-7,12-13H,8-11H2,1-3H3,(H,22,28)
IUPAC name chemrof:IUPAC_name 5′-[Bis(2-methoxyethyl)amino]-2′-[(5-nitro-2,1-benzisothiazol-3-yl)azo]acetanilide
Molecular formula chemrof:molecular_formula C21H24N6O5S
Molecular mass chemrof:molecular_mass 472.527
Monoisotopic mass chemrof:monoisotopic_mass 472.152889
SMILES string chemrof:smiles_string COCCN(CCOC)c1ccc(N=Nc2snc3ccc([N+](=O)[O-])cc23)c(NC(C)=O)c1

Known URLs

6

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=105076-77-5 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.425 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID6073023 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J138.322A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13643261 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q72469706 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
dde833b0-e884-4edd-99ca-5e184bf51b50 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
704fd17f-f085-43f7-9bbd-e3553bd61993 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
bd85dede-f5eb-4350-ad87-1658938e25d8 Environmental → Air → Indoor EF 3.1 kg 4
27922546-8f97-49b6-a2a4-1ce0b3c97066 Environmental → Air → Long-term EF 3.1 kg 0
01ca9a49-08df-4cdf-878c-e0465f5683bf Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d270350e-8229-4173-a124-d06d7f83275a Environmental → Air → Unknown EF 3.1 kg 4
cdaa34d0-1348-49a4-b525-dbcd12b954fe Environmental → Ground → Agricultural EF 3.1 kg 4
41804ed1-2bfe-4d8c-a0a9-75a5b947a1ab Environmental → Ground → Non-agricultural EF 3.1 kg 4
e8805c3d-6ea0-435a-ba19-cb6fd4fe5bac Environmental → Ground → Unknown EF 3.1 kg 4
c0be7fd2-ff4a-48e3-ac18-766ea7759d13 Environmental → Water → Long-term EF 3.1 kg 0
fb3ca2cf-e605-41de-afd0-0843668056ae Environmental → Water → Ocean EF 3.1 kg 4
5656cabb-7a0b-41d6-b960-36bc7930239c Environmental → Water → Surface water EF 3.1 kg 4
4d9b984c-7a15-4efe-8b8d-fe39f5a1d9b4 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON 
{
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  "altLabel": [
    {
      "@value": "2,1-Benzisothiazole, acetamide deriv.",
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    },
    {
      "@value": "Acetamide, N-[5-[bis(2-methoxyethyl)amino]-2-[(5-nitro-2,1-benzisothiazol-3-yl)azo]phenyl]-",
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