Basic information
- CAS
6494-81-1- Standard SMILES
CCNc1nc(Cl)nc(N(CC)N=O)n1- InChIKey
OKVLOVNSJIXWJD-UHFFFAOYSA-N- Molecular formula
- C7H11ClN6O
- Average molar mass
- 230.65 g/mol
- Monoisotopic mass
- 230.0682867
Names & identifiers
- Preferred name
- 6-Chloro-N,N'-diethyl-N-nitroso-1,3,5-triazine-2,4-diamine
- IUPAC
- N-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylnitrous amide
- English name
- N-NITROSOSIMAZINE
- Molecular formula
- C7H11ClN6O
- Molecular weight
- 230.65
Names & synonyms
N-Nitroso Simazine6494-81-16-Chloro-N,N'-diethyl-N-nitroso-1,3,5-triazine-2,4-diamineN-NitrososimazineN-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethylnitrous amide1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-diethyl-N-nitroso-C7H11ClN6ONitrososimazine6-Chloro-N2,N4-diethyl-N2-nitroso-1,3,5-triazine-2,4-diamineL3PFF66ZN5DTXSID00215253MFCD13181672
Show more names
6-Chloro-N2,N4-diethyl-N2-nitroso-1,3,5-triazin-2,4-diamine
DB-082777H517821,3,5-Triazine-2,4-diamine, 6-chloro-N2,N4-diethyl-N2-nitroso-N-[4-chloro-6-(ethylamino)-1,3,5-triazin-2-yl]-N-ethyl-nitrous amide6-Chloro-N,N-diethyl-N-nitroso-1,3,5-triazine-2,4-diamine; 1,3,5-Triazine-2,4-diamine,6-chloro-N,N-diethyl-N-nitroso; N-Nitrososimazine; 6-Chloro-N2,N4-diethyl-N2-nitroso-1,3,5-triazine-2,4-diamine; N-Nitrososimazin;
Database identifiers
- CAS
6494-81-1- PubChem CID
- 165503
- DTXSID
DTXSID00215253- UNII
- L3PFF66ZN5
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 83.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Melting point
- 104 · 104-106°C (dec.)
- storage temp.
- -20 °C · Amber Vial, -20°C Freezer, Under inert atmosphere
- solubility
- DMSO (Slightly), Methanol (Slightly, Heated)
- form
- Solid
- color
- Pale Yellow to Yellow
- Stability
- Light Sensitive
Chemistry & industry
Applications
UsesA N-nitroso compound of the triazine pesticides Simazine.
Suppliers12 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
上海澜克医药科技有限公司021-52216295 lankepharma
凯试(上海)科技有限公司021-50135380 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海鑫凯化学科技有限公司021-58930698 15921516558 · [email protected]
Alfa Chemistry1-516-6625404 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
上海源叶生物科技有限公司13636370518 · [email protected]
武汉沃格达生物科技有限公司15071299552 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…