Product Name: Piperidino 3-piperidyl ketone (CAS NO.40576-21-4)
Molecular Formula: C11H20N2O
Molecular Weight: 196.33g/mol
Mol File: 40576-21-4.mol
Boiling point: 350.5 °C at 760 mmHg
Flash Point: 165.8 °C
Density: 1.047 g/cm3
Surface Tension: 39.4 dyne/cm
Enthalpy of Vaporization: 59.51 kJ/mol
Vapour Pressure: 4.37E-05 mmHg at 25°C
XLogP3-AA: 0.6
H-Bond Donor: 1
H-Bond Acceptor: 2
Structure Descriptors of Piperidino 3-piperidyl ketone (CAS NO.40576-21-4):
IUPAC Name: piperidin-1-yl(piperidin-3-yl)methanone
Canonical SMILES: C1CCN(CC1)C(=O)C2CCCNC2
InChI: InChI=1S/C11H20N2O/c14-11(10-5-4-6-12-9-10)13-7-2-1-3-8-13/h10,12H,1-9H2
InChIKey: OSZRYTYCKGZYLB-UHFFFAOYSA-N
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
mouse | LD50 | intraperitoneal | 495mg/kg (495mg/kg) | Chemical and Pharmaceutical Bulletin. Vol. 21, Pg. 1, 1973. |
Moderately toxic by intraperitoneal route. A flammable liquid. When heated to decomposition it emits toxic vapors of NOx.
DOT Classification: 3; Label: Flammable Liquid
Piperidino 3-piperidyl ketone ,its CAS NO. is 40576-21-4,the synonyms is 3-(Piperidinocarbonyl)piperidine ; 5-22-01-00236 (Beilstein Handbook Reference) ; BRN 0390973 ; Piperidine, 1-(3-piperidyl)carbonyl- ; Ketone, piperidino 3-piperidyl .
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