tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione

• ChemBase ID: 147988
• Molecular Formular: C12H15N3O6
• Molecular Mass: 297.264
• Monoisotopic Mass: 297.09608522
• SMILES: C1C(O1)Cn1c(=O)n(c(=O)n(c1=O)CC1CO1)CC1CO1
• Canonical SMILES: O=c1n(CC2OC2)c(=O)n(c(=O)n1CC1OC1)CC1OC1
• InChI: InChI=1S/C12H15N3O6/c16-10-13(1-7-4-19-7)11(17)15(3-9-6-21-9)12(18)14(10)2-8-5-20-8/h7-9H,1-6H2
• InChIKey: OUPZKGBUJRBPGC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
• IUPAC Traditional name: tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione
• Synonyms: 1,3,5-Tris(oxiran-2-ylmethyl)-1,3,5-triazinane-2,4,6-trione; TGIC; Triglycidyl isocyanurate; Tris(2,3-epoxypropyl) isocyanurate; 异氰尿酸三缩水甘油酯; 三(2,3-环氧丙基)异氰尿酸酯

Database IDs

• CAS Number: 2451-62-9
• EC Number: 219-514-3
• MDL Number: MFCD00080670
• PubChem SID: 162242168; 24863665
• PubChem CID: 17142

CALCULATED PROPERTIES

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): -0.83998364
• LogD (pH = 7.4): -0.83998364
• Log P: -0.83998364
• Molar Refractivity: 65.652 cm^3
• Polarizability: 25.958593 Å^3
• Polar Surface Area: 95.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• RTECS: XZ1994900
• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 46-23/25-41-43-48/22-52/53
• Safety Statements: 53-45-61
• GHS Hazard statements: H412
• GHS Precautionary statements: P273
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Empirical Formula (Hill Notation): C12H15N3O6

DETAILS

Sigma Aldrich - 379506

Packaging
100, 500 g in glass bottle