CAS 959-52-4|1-[3,5-bis(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one|1,3,5-Triacryloylhexahydro-s-triazine|1-[3,5-bis(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one|1,3,5-三丙烯酰基六氢-1,...

Molecular Formula

C₁₂H₁₅N₃O₃

Molecular Mass

249.2658

Exact Mass

249.11134136

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

InChIKey

FYBFGAFWCBMEDG-UHFFFAOYSA-N

Canonic Smiles

C=CC(=O)N1CN(CN(C1)C(=O)C=C)C(=O)C=C

Isomeric Smiles

N1(C(=O)C=C)CN(CN(C1)C(=O)C=C)C(=O)C=C

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

0.3357915

LogD (pH = 7.4)

0.33579835

Log P

0.33579844

Molar Refractivity

65.2425

Polarizability

25.050833

Polar Surface Area

60.93

Rotatable Bonds

Lipinski's Rule of Five

true

Academic Data

PubChem

70397

IUPAC Traditional name

1-[3,5-bis(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one

Synonyms

1,3,5-Triacryloylhexahydro-s-triazine1,3,5-三丙烯酰基六氢-1,3,5-三嗪1,3,5-Triacryloylhexahydro-1,3,5-triazine

IUPAC name

1-[3,5-bis(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one

MDL Number

MFCD00035738

PubChem SID

16207833724870897

Storage Warning

Irritant

GHS Precautionary statements

P261-P280-P302+P350-P305+P351+P338-P310

Personal Protective Equipment

Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P2 (EN 143) respirator cartridges, type P3 (EN 143) respirator cartridges

German water hazard class

GHS Pictograms

Corrosive to metals, category 1

Skin corrosion, categories 1A,1B,1C

Serious eye damage, category 1

Acute toxicity (oral, dermal, inhalation), categories 1,2,3

Respiratory sensitization, category 1

Germ cell mutagenicity, categories 1A,1B,2

Carcinogenicity, categories 1A,1B,2

Reproductive toxicity, categories 1A,1B,2

Specific Target Organ Toxicity – Single exposure, categories 1,2

Specific Target Organ Toxicity – Repeated exposure, categories 1,2

Aspiration Hazard, category 1

GHS Hazard statements

H310-H314-H317-H331-H334

MSDS Link

Download link

GHS Signal Word

Danger

Packing Group

RID/ADR

UN 2928 6.1/PG 2

Hazard Class

6.1

UN Number

2928

Risk Statements

23/24/25-34-42/43

Safety Statements

26-36/37/39-45

European Hazard Symbols

Toxic (T)

RTECS

XY9260000

Physical Property

Melting Point

156°C

156 °C (dec.)(lit.)

Product Information

Empirical Formula (Hill Notation)

C12H15N3O3

Purity

98%

No Data Available

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No Data Available

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Sigma Aldrich

473340

Packaging
50, 250 g in glass bottle

No Data Available

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Academic Data

PubChem

70397

IUPAC Traditional name

1-[3,5-bis(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one

Synonyms

1,3,5-Triacryloylhexahydro-s-triazine1,3,5-三丙烯酰基六氢-1,3,5-三嗪1,3,5-Triacryloylhexahydro-1,3,5-triazine

IUPAC name

1-[3,5-bis(prop-2-enoyl)-1,3,5-triazinan-1-yl]prop-2-en-1-one

MDL Number

MFCD00035738

PubChem SID

16207833724870897

Sigma Aldrich

473340

Packaging
50, 250 g in glass bottle

No Data Available

Click here to submit data

Safety Information

Physical Property

Melting Point

156°C

156 °C (dec.)(lit.)

Product Information

Empirical Formula (Hill Notation)

C12H15N3O3

Purity

98%

Molecule

ID:91638