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SIMAZINE-2-HYDROXY · CAS 2599-11-3 · C7H13N5O. UNII 2MHC1OXH2M. LogP: 0.35; Collision Cross Section: 141.28 Ų [M+H]+; Collision Cross Section: 143.59 Ų [M-H]-.
| CAS Registry Number | 2599-11-3 |
|---|---|
| PubChem CID | 135408659 |
| Molecular formula | C7H13N5O |
| IUPAC name | 4,6-bis(ethylamino)-1H-1,3,5-triazin-2-one |
| UNII (FDA) | 2MHC1OXH2M |
| Molecular Weight | 183.21 |
|---|---|
| XLogP3 | -0.3 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 4 |
| Exact Mass | 183.11201006 |
| Monoisotopic Mass | 183.11201006 |
| Topological Polar Surface Area | 77.9 |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| LogP | 0.35 |
|---|---|
| Collision Cross Section | 141.28 Ų [M+H]+ |
| Collision Cross Section | 143.59 Ų [M-H]- |
| Reported hazard statements | H302 (100%), H319 (100%) |
|---|
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Hydroxysimazine; SIMAZINE-2-HYDROXY; 2MHC1OXH2M; UNII-2MHC1OXH2M; NSC-56447; 1,3,5-Triazin-2(1H)-one, 4,6-bis(ethylamino)-; s-Triazin-2-ol, 4,6-bis(ethylamino)-; CHEBI:83476; NSC 56447; SYSTEMATIC NAMES 1,3,5-TRIAZIN-2(1H)-ONE, 4,6-BIS(ETHYLAMINO)-; DTXSID001017842; RefChem:147276; DTXCID401476024; s-Triazin-2-ol, 4,6-bis(ethylamino)-(8CI); YQIXRXMOJFQVBV-UHFFFAOYSA-N; 2-Hydroxysimazine
CAS 2599-11-3; molecular formula C7H13N5O; molecular weight — g/mol.
Hydroxysimazine, SIMAZINE-2-HYDROXY, 2MHC1OXH2M, UNII-2MHC1OXH2M, NSC-56447, 1,3,5-Triazin-2(1H)-one, 4,6-bis(ethylamino)-.
Hazard statements reported: H302, H319.
LogP: 0.35; Collision Cross Section: 141.28 Ų [M+H]+; Collision Cross Section: 143.59 Ų [M-H]-.
Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.
Store in a cool, dry, well-ventilated place away from heat, direct sunlight and incompatible materials. Keep container tightly closed. Use appropriate personal protective equipment and refer to the SDS for full safety guidance before handling.
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