Simazine
fo-027ca872ff0e2003
Identity
- Type
- Neutral molecule
- CAS
- 122-34-9
- EC
- 204-535-2
- Origin
- EF 3.1 hybrid_name_cas_v1
- Changes
- 58 across every transformer
Structure
What it is used for
3
Roles, not types. A substance bears as many as apply — sulfluramid is an
insecticide and an acaricide — and each is a class ChEBI curates, asserted
with ChEBI’s own has role. The narrow ones publish the broad
ones alongside them, so a substance filed as a herbicide is a pesticide
here too. See agricultural
chemicals for what the axis is and which classes are published.
| Role | Definition | Evidence |
|---|---|---|
| environmental contaminant CHEBI:78298 | Any minor or unwanted substance introduced into the environment that can have undesired effects. | ChEBI |
| herbicide CHEBI:24527 | A substance used to destroy plant pests. | ChEBI |
| pesticide CHEBI:25944 | Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests. | ChEBI |
Alternative labels
51- 1,3,5-Triazine-2,4-diamine, 6-chloro-N,N′-diethyl-
- 1,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diethyl-
- 2,4-bis(ethylamino)-6-chloro-1,3,5-triazine
- 2,4-bis(ethylamino)-6-chloro-s-triazine
- 2,4-Di(ethylamino)-6-chloro-1,3,5-triazine
- 2-chloro-4,6-bis(ethylamino)-1,3,5-triazine
- 2-chloro-4,6-bis(ethylamino)-s-triazine
- 2-Chloro-4,6-bis(ethylamino)-sym-triazine
- 2-Chloro-4,6-di(ethylamino)triazine
- 4,6-Bis(ethylamino)-2-chlorotriazine
- 6-chloro-N(2),N(4)-diethyl-1,3,5-triazine-2,4-diamine
- 6-chloro-N,N'-diethyl-1,3,5-triazine-2,4-diamine
- 6-chloro-N,N'-diethyl-[1,3,5]triazin-2,4-diamine
- 6-Chloro-N2,N4-diethyl-1,3,5-triazine-2,4-diamine
- Aktinit S
- Aquazine
- Azotop
- Batazina FLO
- Bitemol S 50
- CAT
- CAT (pesticide)
- Gesatop
- Gesatop 50
- Gesatop D
- Herbatoxol S
- Herbazin
- Herbazin 50
- Herbex
- Herbex (pesticide)
- Herboxy
- Hungazin DT
- MeSH ID: D012839
- Premazine
- Princep
- Radocon
- Radokor
- s-Triazine, 2-chloro-4,6-bis(ethylamino)-
- Sim-Trol 4L
- Simanex
- Simatox
- Simatsin-neste
- Simazin
- Simazin S 50
- Simazine 50
- Simazine 80W
- Symazine
- Tafazine
- Tafazine 50W
- Taphazine
- Triazine A 384
- Yrodazin
Properties
| Property | Value |
|---|---|
| Elemental charge chemrof:elemental_charge | 0 |
| InChI2D key string chemrof:inchi2d_key_string | ODCWYMIRDDJXKW-UHFFFAOYSA-N |
| InChI2D string chemrof:inchi2d_string | InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13) |
| IUPAC name chemrof:IUPAC_name | 2,4-bis(ethylamino)-6-chloro-1,3,5-triazine |
| Molecular formula chemrof:molecular_formula | C7H12ClN5 |
| Molecular mass chemrof:molecular_mass | 201.661 |
| Monoisotopic mass chemrof:monoisotopic_mass | 201.07812, 201.078123 |
| SMILES string chemrof:smiles_string | CCNc1nc(Cl)nc(NCC)n1 |
Known URLs
27Where 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=122-34-9 | enrich_references.chebi_xrefs |
| ChEBI | https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:27496 | enrich_references.chebi_id_link |
| chem.echa.europa.eu | https://chem.echa.europa.eu/100.004.124 | enrich_references.pubchem_identifier_url |
| chemicalsafety.ilo.org | https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0699 | enrich_references.pubchem_identifier_url |
| comptox.epa.gov | https://comptox.epa.gov/dashboard/DTXSID4021268 | enrich_references.pubchem_identifier_url |
| dtp.cancer.gov | https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=25999 | enrich_references.pubchem_identifier_url |
| ebi.ac.uk | https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1605837 | enrich_references.pubchem_identifier_url |
| gsrs.ncats.nih.gov | https://gsrs.ncats.nih.gov/ginas/app/beta/substances/SG0C34SMY3 | enrich_references.pubchem_identifier_url |
| HMDB | https://hmdb.ca/metabolites/HMDB0258294 | enrich_references.pubchem_identifier_url |
| jglobal.jst.go.jp | http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.927K | enrich_references.pubchem_identifier_url |
| KEGG | https://www.genome.jp/entry/C11172 | enrich_references.chebi_xrefs |
| kegg.jp | https://www.kegg.jp/entry/C11172 | enrich_references.pubchem_identifier_url |
| lincs.smallmolecule | lincs.smallmolecule:LSM-19997 | enrich_references.chebi_xrefs |
| metabolomicsworkbench.org | https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=51342 | enrich_references.pubchem_identifier_url |
| MetaCyc | https://metacyc.org/compound?orgid=META&id=CPD-9355 | enrich_references.chebi_xrefs |
| pesticides | pesticides:simazine | enrich_references.chebi_xrefs |
| ppdb | ppdb:592 | enrich_references.chebi_xrefs |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/compound/5216 | enrich_references.pubchem_compound |
| PubChem | https://pubchem.ncbi.nlm.nih.gov/erg/#3077 | enrich_references.pubchem_identifier_url |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/12791541 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/14640584 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/15149137 | enrich_references.chebi_xrefs |
| PubMed | https://pubmed.ncbi.nlm.nih.gov/19101008 | enrich_references.chebi_xrefs |
| reaxys | reaxys:10895 | enrich_references.chebi_xrefs |
| umbbd.compound | umbbd.compound:c0254 | enrich_references.chebi_xrefs |
| Wikidata | https://www.wikidata.org/wiki/Q416160 | enrich_references.pubchem_identifier_url |
| Wikipedia | https://en.wikipedia.org/wiki/Simazine | enrich_references.chebi_xrefs |
Elementary flows
16| Flow | Context | Source | Unit | CFs |
|---|---|---|---|---|
| f2157179-6555-11dd-ad8b-0800200c9a66 | Environmental → Air → Aircraft cruise height | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-98e6-0050c2490048 | Environmental → Air → Ground level → Urban (>1000 people/square mile) | EF 3.1 | kg | 4 |
| cf9d06c0-8425-47c3-abfb-15f162a3cb1e | Environmental → Air → Indoor | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-98e5-0050c2490048 | Environmental → Air → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-98e7-0050c2490048 | Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-98e4-0050c2490048 | Environmental → Air → Unknown | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-98e2-0050c2490048 | Environmental → Ground → Agricultural | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-98eb-0050c2490048 | Environmental → Ground → Non-agricultural | EF 3.1 | kg | 4 |
| a58f0341452c43ec856d090ca0e82f978387ed1b | Environmental → Ground → Silvicultural | ecoinvent algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-98e3-0050c2490048 | Environmental → Ground → Unknown | EF 3.1 | kg | 4 |
| 08a91e70-3ddc-11dd-98e9-0050c2490048 | Environmental → Water → Long-term | EF 3.1 | kg | 0 |
| 08a91e70-3ddc-11dd-98ec-0050c2490048 | Environmental → Water → Ocean | EF 3.1 | kg | 4 |
| 8efd9c04f19eb65e1236c0cd0f21fb13556ea541 | Environmental → Water → River | agribalyse algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-98e8-0050c2490048 | Environmental → Water → Surface water | EF 3.1 | kg | 4 |
| 2c9323e23cec8160dff6e34ce163d4ea842ffaf0 | Environmental → Water → Unconfined aquifer | ecoinvent algorithm addition | kg | 0 |
| 08a91e70-3ddc-11dd-98ea-0050c2490048 | Environmental → Water → Unknown | EF 3.1 | kg | 4 |
History
Everything that changed this substance (58 changes)
Full record
Flow object JSON
{
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{
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{
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},
{
"@value": "Aktinit S",
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},
{
"@value": "Aquazine",
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},
{
"@value": "Azotop",
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},
{
"@value": "Batazina FLO",
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},
{
"@value": "Bitemol S 50",
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},
{
"@value": "CAT",
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},
{
"@value": "CAT (pesticide)",
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},
{
"@value": "Gesatop",
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{
"@value": "Gesatop 50",
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},
{
"@value": "Gesatop D",
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}
},
{
"@value": "Herbatoxol S",
"@language": "en",
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"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Herbazin",
"@language": "en",
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},
{
"@value": "Herbazin 50",
"@language": "en",
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}
},
{
"@value": "Herbex",
"@language": "en",
"@lang": "en",
"provenance": {
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}
},
{
"@value": "Herbex (pesticide)",
"@language": "en",
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},
{
"@value": "Herboxy",
"@language": "en",
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"provenance": {
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"prov:wasDerivedFrom": "common chemistry CAS lookup"
}
},
{
"@value": "Hungazin DT",
"@language": "en",
"@lang": "en",
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}
},
{
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}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