1,3,5-Triacryloylhexahydro-1,3,5-triazine

Product Information

Molecular Formula:
C12H15N3O3
Molecular Weight:
249.27
Description
1,3,5-Triacryloylhexahydro-1,3,5-triazine is an intricate chemical compound. It boasts a specialized design perfectly fit for the complex undertaking of photochemotherapy. It has contributed greatly to the study of melanoma and other cancer diseases and can also trigger apoptosis, initiating a death sequence within target cells when activated.
Synonyms
1,3,5-TRIACRYLOYLHEXAHYDRO-1,3,5-TRIAZINE; 1,3,5-TRIACRYLOYLHEXAHYDRO-S-TRIAZINE; 1,3,5-TRIACRYLOYL HEXAHYDRO-SYM TRIAZINE; 1,3,5-TRIACRYLOYL HEXAHYDROTHIAZINE; 1,3,5-TRIACRYLYL HEXAHYDRO-S-TRIAZINE; TRIACRYLOYLHEXA-1,3,5-HYDROTRIAZINE; 1,3,5-triacryloylhexahy
IUPAC Name
1-[3,5-di(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one
Canonical SMILES
C=CC(=O)N1CN(CN(C1)C(=O)C=C)C(=O)C=C
InChI
InChI=1S/C12H15N3O3/c1-4-10(16)13-7-14(11(17)5-2)9-15(8-13)12(18)6-3/h4-6H,1-3,7-9H2
InChI Key
FYBFGAFWCBMEDG-UHFFFAOYSA-N
Boiling Point
392.37°C (rough estimate)
Melting Point
156 °C (dec.)(lit.)
Purity
>98.0%(HPLC)(N)
Density
1.197 g/cm3
Appearance
White to Almost white powder to crystal
Refractive Index
1.5290 (estimate)

Safety Information

Hazards
H302:
Harmful if swallowed.
H310:
Fatal in contact with skin.
H315:
Causes skin irritation.
H317:
May cause an allergic skin reaction.
H318:
Causes serious eye damage.
H334:
May cause allergy or asthma symptoms or breathing difficulties if inhaled.
Precautionary Statement
P261:
Avoid breathing dust, fumes, gas, mist, vapours, spray. [As modified by IV ATP].
P262:
Do not get in eyes, on skin, or on clothing.
P280:
Wear protective gloves/protective clothing/eye protection/face protection.
P302+P352+P310:
IF ON SKIN:
Wash with plenty of soap and water.
Immediately call a POISON CENTER or doctor/physician.
P304+P340:
IF INHALED:
Remove person to fresh air and keep comfortable for breathing.
P305+P351+P338+P310:
IF IN EYES:
Rinse cautiously with water for several minutes.
Remove contact lenses if present and easy to do. Continue rinsing.
Immediately call a POISON CENTER or doctor/physician.
P342+P311:
If experiencing respiratory symptoms:
Call a POISON CENTER or doctor/physician.

Computed Properties

XLogP3
0.6
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
3
Exact Mass
249.11134135 g/mol
Monoisotopic Mass
249.11134135 g/mol
Topological Polar Surface Area
60.9Ų
Heavy Atom Count
18
Formal Charge
0
Complexity
343
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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