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

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Computed Properties

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

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

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Related Functional Groups

Triazines

[1011371-03-1]
Ethyl (4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl)acetate
[35045-02-4]
Metribuzin-desamino
[61799-46-0]
N-(2-Hydroxyethyl)ammelide
[30360-19-1]
N,N'-Diethyl-N''-isopropyl-1,3,5-triazine-2,4,6-triamine
[21638-99-3]
4-amino-6-(trifluoromethyl)-1H-1,3,5-triazin-2-one
[1368414-41-8]
3-Chloro-5-(p-tolyl)-1,2,4-triazine

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

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