Desalkylterbuthylazine - CAS 3397-62-4
Catalog: |
BB021919 |
Product Name: |
Desalkylterbuthylazine |
CAS: |
3397-62-4 |
Synonyms: |
2-Chloro-4,6-diamino-1,3,5-triazine; 2,4-Diamino-6-chloro-1,3,5-triazine; Chloroammeline; Desethyl-desisopropyl-Atrazine |
Related CAS: | 3397-62-4 (unlabelled)
|
IUPAC Name: | 6-chloro-1,3,5-triazine-2,4-diamine |
Description: | Desalkylterbuthylazine is a metabolite of Atrazine. |
Molecular Weight: | 145.55 |
Molecular Formula: | C3H4ClN5 |
Canonical SMILES: | C1(=NC(=NC(=N1)Cl)N)N |
InChI: | InChI=1S/C3H4ClN5/c4-1-7-2(5)9-3(6)8-1/h(H4,5,6,7,8,9) |
InChI Key: | FVFVNNKYKYZTJU-UHFFFAOYSA-N |
Boiling Point: | 487.9 °C at 760 mmHg |
Melting Point: | >320 °C (lit.) |
Purity: | 95 % |
Density: | 1.7 g/cm3 |
Solubility: | Slightly soluble in DMSO, Methanol |
Appearance: | Light yellow solid |
Storage: | Store at 2-8 °C |
MDL: | MFCD00006054 |
LogP: | 0.85180 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-113308547-A | Primer composition for tumor methylation site detection and application thereof | 20210716 |
CN-113355335-A | Limonium bicolor gene LbHLH and application thereof | 20210611 |
AU-2021102470-A4 | Drought and high-salt resistant promoter of paeonia suffruticosa psdreb1 gene and expression and use thereof | 20210511 |
CN-113416735-A | Tobacco germ cell specific high expression gene and application thereof | 20210317 |
CN-112708625-A | Lilium regale inducible promoter PG1 and application thereof | 20210316 |
PMID | Publication Date | Title | Journal |
26164745 | 20150701 | The adverse effect of 4-tert-octylphenol on fat metabolism in pregnant rats via regulation of lipogenic proteins | Environmental toxicology and pharmacology |
23591565 | 20130701 | Triazine herbicides and their chlorometabolites alter steroidogenesis in BLTK1 murine Leydig cells | Toxicological sciences : an official journal of the Society of Toxicology |
23333938 | 20130315 | Characterization of a novel PERK kinase inhibitor with antitumor and antiangiogenic activity | Cancer research |
22835697 | 20121101 | 20β-hydroxysteroid dehydrogenase gene promoter: potential role for cyclic AMP and xenobiotic responsive elements | Gene |
22819448 | 20120915 | The novel phloroglucinol derivative BFP induces apoptosis of glioma cancer through reactive oxygen species and endoplasmic reticulum stress pathways | Phytomedicine : international journal of phytotherapy and phytopharmacology |
Complexity: | 88.2 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 145.0155228 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 145.0155228 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 90.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.1 |
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