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102504-71-2

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Basic Information
CAS No.: 102504-71-2
Name: 1-Propanone,3-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)-1-[4-(dimethylamino)phenyl]-
Molecular Structure:
Molecular Structure of 102504-71-2 (1-Propanone,3-(3,6-dihydro-4-phenyl-1(2H)-pyridinyl)-1-[4-(dimethylamino)phenyl]-)
Formula: C22H26 N2 O
Molecular Weight: 334.50
Synonyms: NSC 170466
Density: 1.0818 (rough estimate)
Boiling Point: 471.25°C (rough estimate)
Safety: A poison by intravenous route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
PSA: 23.55000
LogP: 4.05260
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Chemistry

Product Name: 4-Dimethylaminophenyl-2-((4-phenyl-1,2,5,6-tetrahydro-1-pyridyl)ethyl) ketone (CAS NO.102504-71-2)


Molecular Formula: C22H26N2O
Molecular Weight: 334.50g/mol
Mol File: 102504-71-2.mol
XLogP3-AA: 4.3
H-Bond Donor: 0
H-Bond Acceptor: 3
Structure Descriptors of 4-Dimethylaminophenyl-2-((4-phenyl-1,2,5,6-tetrahydro-1-pyridyl)ethyl) ketone (CAS NO.102504-71-2):
  IUPAC Name: 1-(4-Dimethylaminophenyl)-3-(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)propan-1-one
  Canonical SMILES: CN(C)C1=CC=C(C=C1)C(=O)CCN2CCC(=CC2)C3=CC=CC=C3
  InChI: InChI=1S/C22H26N2O/c1-23(2)21-10-8-20(9-11-21)22(25)14-17-24-15-12-19(13-16-24)18-6-4-3-5-7-18/h3-12H,13-17H2,1-2H3 
  InChIKey: FCJJBXIBBZCQJZ-UHFFFAOYSA-N

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 42mg/kg (42mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#11073,

Safety Profile

A poison by intravenous route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.

Standards and Recommendations

DOT Classification:  3; Label: Flammable Liquid

Specification

 4-Dimethylaminophenyl-2-((4-phenyl-1,2,5,6-tetrahydro-1-pyridyl)ethyl) ketone , its CAS NO. is 102504-71-2, the synonyms are 4'-(Dimethylamino)-3-(4-phenyl-1,2,5,6-tetrahydro-1-pyridyl)propiophenone ; Propiophenone, 4'-(dimethylamino)-3-(4-phenyl-1,2,3,6-tetrahydro-1-pyridyl)- .