Triethyl 1,3,5-triazine-2,4,6-tricarboxylate - CAS 898-22-6
Catalog: |
BB039615 |
Product Name: |
Triethyl 1,3,5-triazine-2,4,6-tricarboxylate |
CAS: |
898-22-6 |
Synonyms: |
triethyl 1,3,5-triazine-2,4,6-tricarboxylate |
IUPAC Name: | triethyl 1,3,5-triazine-2,4,6-tricarboxylate |
Description: | Triethyl 1,3,5-triazine-2,4,6-tricarboxylate (CAS# 898-22-6) is a useful research chemical. |
Molecular Weight: | 297.26 |
Molecular Formula: | C12H15N3O6 |
Canonical SMILES: | CCOC(=O)C1=NC(=NC(=N1)C(=O)OCC)C(=O)OCC |
InChI: | InChI=1S/C12H15N3O6/c1-4-19-10(16)7-13-8(11(17)20-5-2)15-9(14-7)12(18)21-6-3/h4-6H2,1-3H3 |
InChI Key: | LKNPNZKIOSOWES-UHFFFAOYSA-N |
Boiling Point: | 451.1 °C at 760 mmHg |
Melting Point: | 170-174 °C (lit.) |
Purity: | 95 % |
Density: | 1.279 g/cm3 |
MDL: | MFCD01419268 |
LogP: | 0.40170 |
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-105037374-A | Preparation method of N-butyl-9H-pyrido[4,5-b]indole-2-carboxamide | 20150714 |
CN-105037374-B | Preparation method of N-butyl-9H-pyrido[4,5-b]indole-2-carboxamide | 20150714 |
KR-20150019994-A | Electrolyte and lithium secondary battery comprising the same | 20130812 |
AU-2010251948-A1 | Substituted aminobutyric derivatives as neprilysin inhibitors | 20090528 |
CA-2763565-A1 | Substituted aminobutyric derivatives as neprilysin inhibitors | 20090528 |
PMID | Publication Date | Title | Journal |
16983167 | 20061001 | Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives | Acta crystallographica. Section B, Structural science |
Complexity: | 320 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.09608521 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 9 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.09608521 |
Rotatable Bond Count: | 9 |
Topological Polar Surface Area: | 118 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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