4,6-Dimethoxy-1,3,5-triazin-2(1H)-one - CAS 1075-59-8
Catalog: |
BB002102 |
Product Name: |
4,6-Dimethoxy-1,3,5-triazin-2(1H)-one |
CAS: |
1075-59-8 |
Synonyms: |
4,6-dimethoxy-1H-1,3,5-triazin-2-one; 4,6-dimethoxy-1H-1,3,5-triazin-2-one |
IUPAC Name: | 4,6-dimethoxy-1H-1,3,5-triazin-2-one |
Description: | 4,6-Dimethoxy-1,3,5-triazin-2(1H)-one (CAS# 1075-59-8) is a cyanuric acid (C987715) derivative and its cationic form is used as a leaving group for the rapid formation of carbocation species in the acid-catalyzed alkylation of O- and C-nucleophiles. |
Molecular Weight: | 157.13 |
Molecular Formula: | C5H7N3O3 |
Canonical SMILES: | COC1=NC(=NC(=O)N1)OC |
InChI: | InChI=1S/C5H7N3O3/c1-10-4-6-3(9)7-5(8-4)11-2/h1-2H3,(H,6,7,8,9) |
InChI Key: | ABWQLBWYPYHBHW-UHFFFAOYSA-N |
Boiling Point: | 360.6 ℃ at 760 mmHg |
Density: | 1.46 g/cm3 |
LogP: | -0.81790 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-111303120-A | Preparation method of fasudil hydrochloride | 20200314 |
CN-113164616-A | Degradable hyaluronic acid hydrogel | 20180926 |
CN-111108145-A | Polybenzimidazole, precursor polyamide thereof, and processes for producing these | 20170915 |
EP-3666814-A1 | Polybenzimidazole, precursor polyamide thereof, and method for producing same | 20170915 |
KR-20200047701-A | Polybenzoimidazoles, precursor polyamides and methods for preparing them | 20170915 |
Complexity: | 233 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 157.04874109 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 157.04874109 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 72.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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