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5275-02-5

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Basic Information
CAS No.: 5275-02-5
Name: 1H-Indol-3-yl(4-piperidyl) ketone
Article Data: 2
Molecular Structure:
Molecular Structure of 5275-02-5 (1H-Indol-3-yl(4-piperidyl) ketone)
Formula: C14H16N2O
Molecular Weight: 228.32
Synonyms: KETONE,3-INDOLYL 4-PIPERIDYL;3-Isonipecotylindole;
Density: 1.189g/cm3
Boiling Point: 434.9°Cat760mmHg
Flash Point: 216.8°C
Safety: A poison by intravenous route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
PSA: 44.89000
LogP: 2.67900
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Chemistry

Product Name: 3-Isonipecotylindole (CAS NO.5275-02-5)


IUPAC: 1H-indol-3-yl(piperidin-4-yl)methanone
Molecular Formula: C14H16N2O
Molecular Weight: 228.32g/mol
Mol File: 5275-02-5.mol
Boiling point: 434.9 °C at 760 mmHg
Flash Point: 216.8 °C
Density: 1.189g/cm3
Surface Tension: 52.2 dyne/cm
Enthalpy of Vaporization: 69.11 kJ/mol
Vapour Pressure: 9.15E-08 mmHg at 25°C
XLogP3-AA: 2.1
H-Bond Donor: 2
H-Bond Acceptor: 2

Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 40mg/kg (40mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#12343,

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

 3-Isonipecotylindole ,its CAS NO. is 5275-02-5, the synonyms are 5-24-03-00564 (Beilstein Handbook Reference) ; BRN 1576326 ; Ketone, 3-indolyl 4-piperidyl .