s
simazine
Chemical compound
Also known as 2-chloro-4,6-bis(ethylamino)-s-triazine · 2-chloro-4,6-bis(ethylamino)-1,3,5-triazine · 2,4-bis(ethylamino)-6-chloro-1,3,5-triazine · 6-chloro-N(2),N(4)-diethyl-1,3,5-triazine-2,4-diamine · 2,4-bis(ethylamino)-6-chloro-s-triazine · 6-chloro-N,N'-diethyl-[1,3,5]triazin-2,4-diamine
- Formula
- C₇H₁₂ClN₅
1
- C₇H₁₂ClN₅
- Mass
- 201.078 Da
1
- 201.078 Da
- Melting point
- 228°C
1
- 228°C
Overview
Chemistry
All data
99 statements · 25% with external sources · numbers in brackets are citations
- Canonical SMILES
- CCNC1=NC(=NC(=N1)Cl)NCC
1
- CCNC1=NC(=NC(=N1)Cl)NCC
- Isomeric SMILES
- CC/N=C\1/N/C(=N\CC)/N=C(N1)Cl
1
- CC/N=C\1/N/C(=N\CC)/N=C(N1)Cl
- Subject has role
- priority substances
- developmental toxicant(since 2016)
1
Sources- 1.Stated in California Proposition 65 list of chemicalsoehha.ca.gov/chemicals/simazineRetrieved 2020-03-18
- female reproductive toxicant(since 2016)
1
Sources- 1.Stated in California Proposition 65 list of chemicalsoehha.ca.gov/chemicals/simazineRetrieved 2020-03-18
On other databases
37 identifiers linking simazine across the web's reference databases
- CA PROP 65 IDsimazine
- CAMEO Chemicals ID18220
- CAS Registry Number122-34-9
- ChEBI ID27496
- ChEMBL IDCHEMBL1605837
- ChemSpider ID5027
- DSSTOX compound identifierDTXCID501268
- DSSTox substance IDDTXSID4021268
- EC number204-535-2
- ECHA Substance Infocard ID100.004.124
- Freebase ID/m/02qn53k
- HCIS ID4109
- HSDB ID1765
- Human Metabolome Database IDHMDB0258294
- ICSC ID0699
- InChIInChI=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)
- InChIKeyODCWYMIRDDJXKW-UHFFFAOYSA-N
- Interlingual Index IDi116215
- KEGG IDC11172
- MassBank accession IDSM841901
- MeSH descriptor IDD012839
- MeSH tree codeD03.383.931.819
- Microsoft Academic ID (discontinued)2778659605
- NSC number25999
- OpenAlex IDC2778659605
- OSHA Occupational Chemical Database ID1028
- PesticideInfo chemical IDPRI5705
- Probes And Drugs IDPD150544
- PubChem CID5216
- Reaxys registry number10895
- SPLASHsplash10-0udi-0590000000-554571e4ddb17bb31bc0
- SureChEMBL ID37774
- UM-BBD compound IDc0254
- UniChem compound ID992454
- UNIISG0C34SMY3
- WordNet 3.1 Synset ID15066996-n
- ZVG number530126