Triazinate
[CAS# 41191-04-2]

Identification

• Name: Triazinate
• Synonyms: 3-[[2-Chloro-4-(4,6-Diamino-2,2-Dimethyl-1,3,5-Triazin-1-Yl)Phenoxy]Methyl]-N,N-Dimethyl-Benzamide; Ethanesulfonic Acid; 3-[[2-Chloro-4-(4,6-Diamino-2,2-Dimethyl-S-Triazin-1-Yl)Phenoxy]Methyl]-N,N-Dimethyl-Benzamide; Ethanesulfonic Acid; Nsc139105
• Molecular Formula: C₂₃H₃₁ClN₆O₅S
• Molecular Weight: 539.05
• CAS Registry Number: 41191-04-2
• SMILES: C1=C(C(=CC=C1N2C(N=C(N)N=C2N)(C)C)OCC3=CC=CC(=C3)C(N(C)C)=O)Cl.C([S](O)(=O)=O)C
• InChI: 1S/C21H25ClN6O2.C2H6O3S/c1-21(2)26-19(23)25-20(24)28(21)15-8-9-17(16(22)11-15)30-12-13-6-5-7-14(10-13)18(29)27(3)4;1-2-6(3,4)5/h5-11H,12H2,1-4H3,(H4,23,24,25,26);2H2,1H3,(H,3,4,5)
• InChIKey: HKPVIFTWECXNPY-UHFFFAOYSA-N

Properties

• Boiling point: 631.1°C at 760 mmHg (Cal.)
• Flash point: 335.5°C (Cal.)