Consensus flow list

Identity

Type
NeutralMolecule
CAS
4726-14-1
EC
225-219-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for Nitralin

Alternative labels

12

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string UMKANAFDOQQUKE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C13H19N3O6S/c1-4-6-14(7-5-2)13-11(15(17)18)8-10(23(3,21)22)9-12(13)16(19)20/h8-9H,4-7H2,1-3H3
IUPAC name chemrof:IUPAC_name 2,6-Dinitro-4-methylsulfonyl-N,N-dipropylaniline
Molecular formula chemrof:molecular_formula C13H19N3O6S
Molecular mass chemrof:molecular_mass 345.377
Monoisotopic mass chemrof:monoisotopic_mass 345.099456, 345.09946
SMILES string chemrof:smiles_string CCCN(CCC)c1c([N+](=O)[O-])cc(S(C)(=O)=O)cc1[N+](=O)[O-]

Known URLs

15

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=4726-14-1 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:82190 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.022.926 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9042203 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1256763 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/697W0VS4HQ enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.067H enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C19064 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C19064 enrich_references.pubchem_identifier_url
ppdb ppdb:1284 enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/20848 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3077 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=033040 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q22808472 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Nitralin enrich_references.pubchem_identifier_url

Elementary flows

14
Flow Context Source Unit CFs
d1723699-5cb1-472a-8bbc-108b8ce5a683 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
e4829ae3-9a15-4ad2-9b1d-a01bb4c7e771 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
7576974c-f9ab-42e2-a1fa-ab92b667777c Environmental → Air → Indoor EF 3.1 kg 2
12a99ab6-7813-480a-9708-870b9eddfbc9 Environmental → Air → Long-term EF 3.1 kg 0
d3a37982-99d1-4a49-9bc5-6aead3e814ff Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
ac29c7a6-1d89-4ebd-acd4-e9c50c4d34f1 Environmental → Air → Unknown EF 3.1 kg 2
cfb5bb08-7edb-49aa-96e9-5b2a2a2de08a Environmental → Ground → Agricultural EF 3.1 kg 2
3409072f-38f6-47b0-9174-7deb09553e49 Environmental → Ground → Non-agricultural EF 3.1 kg 2
cc07fc169b6da570cf3a631ca7595769a90f96bc Environmental → Ground → Silvicultural ecoinvent algorithm addition kg 0
853d644a-c2a8-4918-99d9-c44bae0b0b7b Environmental → Ground → Unknown EF 3.1 kg 2
eefa82c9-d0f7-4e2b-a15b-6c551a403065 Environmental → Water → Long-term EF 3.1 kg 0
6dfd7553-0401-4153-ac93-178818c139d1 Environmental → Water → Ocean EF 3.1 kg 2
2cb9a097-491c-4c22-ad99-42acef8e58bd Environmental → Water → Surface water EF 3.1 kg 2
002e70b1-0a2e-479e-a9b6-a0eed0beda36 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
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