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Triallyl Isocyanurate

CAS: 1025-15-6 | C12H15N3O3

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 1025-15-6
Molecular Formula: C12H15N3O3
Molecular Weight: 249.26999999999995 g/mol

Names and Synonyms:

Triallyl Isocyanurate
Farida TAIC-P
1,3,5-Triallyl-1,3,5-triazinane-2,4,6-trione
Kettlitz TAIC
Trilink 7
HBSQ 2011
Luvomaxx TAIC-DL 70C
Triallylisocyanuric acid
SR 533R
TAIC WH
DLC-A
TAIC-M 60
Triallyl isocyanurate
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tri-2-propen-1-yl-
T-CROS
A 1712
Taic-S 70
1,3,5-Triallyl-1,3,5-triazin-2,4,6-trione
TAIC-B
Rhenofit TAIC/S
PL 301-50D
Luvomaxx TAIC-DL 70
TAIC 60
M 6
TAIC-M 6
Perkalink 301-50
Triallyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
Perkalink 301
1,3,5-Tri-2-propen-1-yl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
s-Triazine-2,4,6(1H,3H,5H)-trione, triallyl-
s-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-triallyl-
Drimix TAIC 75
CVD 50106
1,3,5-Tris(2-propenyl) isocyanurate
PL 301
TAIC 70
Betalink IC/W 65PA6
Perkalink 301-70DPD
Nor-TAIC KS
1,3,5-Tris-2′-propenylisocyanuric acid
NSC 11692
Drimix TAIC
1,3,5-Triallyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
Perkalink 301-501
1,3,5-Tri-2-propenyl-1,3,5-triazine-2,4,6(1H,3H,5H)-trione
M 60
M 60 (isocyanurate)
TAIC
Diak 7
1,3,5-Triallylisocyanurate
1,3,5-Triallyl-1,3,5-triazine-2,4,6-trione
Allyl isocyanurate
T 123406
TAIC-S
Daik 7
Triallyl-1,3,5-triazine-2,4,6-trione
Taicros
TAIC 100
Synpro PLC 4185
TAIC-WH 60
TAIC DLC-A
SR 533
WH 60
M 6 (isocyanurate)
Perkalink 301-50D
1,3,5-Triallylisocyanuric acid
Isocyanuric acid triallyl ester
1,3,5-Triazine-2,4,6(1H,3H,5H)-trione, 1,3,5-tri-2-propenyl-

Identifiers:

SMILES:
C=CCn1c(=O)n(CC=C)c(=O)n(CC=C)c1=O
InChI:
InChI=1S/C12H15N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-6H,1-3,7-9H2

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 249.26999999999995 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 249.11134134 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 18 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 6 count RDKit
Hydrogen Bond Donors 0 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 6 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 1 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 66.0 Ų RDKit

Physical Properties

Property Value Source
LogP -0.27030000000000043 RDKit
molecular_mass 249.27 g/mol Legacy Database
density 1.38 g/cm³ Legacy Database
cas-boiling-point 107-114 °C @ Press: 0.5 Torr None Legacy Database
cas-canonical-smile O=C1N(C(=O)N(C(=O)N1CC=C)CC=C)CC=C None Legacy Database
cas-density 1.382 g/cm3 @ Temp: 22 °C None Legacy Database
cas-inchi InChI=1S/C12H15N3O3/c1-4-7-13-10(16)14(8-5-2)12(18)15(9-6-3)11(13)17/h4-6H,1-3,7-9H2 None Legacy Database
cas-inchi-key InChIKey=KOMNUTZXSVSERR-UHFFFAOYSA-N None Legacy Database
cas-melting-point 20.5 °C None Legacy Database
cas-name Triallyl isocyanurate None Legacy Database

Molar

Property Value Source
Molar Refractivity 69.813 RDKit

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