CAS 112257-60-0 1-Tritylpiperidin-4-one (HCID 2748414)

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Basic information

CAS: 112257-60-0
Standard SMILES: O=C1CCN(C(c2ccccc2)(c2ccccc2)c2ccccc2)CC1
InChIKey: TTWLMWSWSQUXDB-UHFFFAOYSA-N
Molecular formula: C24H23NO
Average molar mass: 341.4 g/mol
Monoisotopic mass: 341.17796436

Names & identifiers

Preferred name: 1-Tritylpiperidin-4-one
IUPAC: 1-tritylpiperidin-4-one
English name: 1-TriphenylMethylpiperidin-4-one
Molecular formula: C24H23NO
Molecular weight: 341.45

Names & synonyms

1-tritylpiperidin-4-one112257-60-0DTXSID10372725RefChem:235542DTXCID103237571-Triphenylmethyl-4-piperidone1-TriphenylMethylpiperidin-4-one1-(triphenylmethyl)piperidin-4-oneMFCD011088491-TRITYL-4-PIPERIDINONE4-Piperidinone, 1-(triphenylmethyl)-1-(Triphenylmethyl)-4-piperidinone; 1-(Triphenylmethyl)piperidin-4-one; 1-Triphenylmethyl-4-piperidone

Show more names

N-trityl-4-piperidoneSCHEMBL3744280TTWLMWSWSQUXDB-UHFFFAOYSA-N1-(Triphenylmethyl)-4-piperidinoneAKOS004903895AS-40324SY124047DB-201950

Database identifiers

CAS: 112257-60-0
PubChem CID: 2748414
DTXSID: DTXSID10372725
EC Number: 808-473-2

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 20.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 26
Formal charge: 0
Complexity: 399

Physicochemical properties

Melting point: 200 °C · >200 °C
Boiling point: 470.5 · 470.5±40.0 °C(Predicted)
Density: 1.14 · 1.140±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C(protect from light)
solubility: soluble in Dichloromethane, Ethyl Acetate, Methanol
form: Solid
pka: 5.17 · 5.17±0.20(Predicted)
color: Light Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications · 1 item

Uses1-Tritylpiperidin-4-one is an intermediate in the synthesis of trans R-138727, (Prasugrel Metabolite) (R070195), which is the active metabolite of Prasugrel (P701150); inhibits ADP-stimulated thrombo-inflammatory markers of platelet activation: influence of other blood cells, calcium, and aspirin.