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69462-53-9

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Basic Information
CAS No.: 69462-53-9
Name: 4-methyl-1-[(6-methylcyclohex-3-en-1-yl)carbonyl]piperidine
Molecular Structure:
Molecular Structure of 69462-53-9 (4-methyl-1-[(6-methylcyclohex-3-en-1-yl)carbonyl]piperidine)
Formula: C14H23NO
Molecular Weight: 221.38
Density: 0.985g/cm3
Boiling Point: 345.7°Cat760mmHg
Flash Point: 142.4°C
Safety: A skin and eye irritant. When heated to decomposition it emits toxic fumes of NOx.
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Chemistry

Product Name: 4-Methyl-1-((6-methyl-3-cyclohexen-1-yl)carbonyl)piperidine (CAS NO.69462-53-9)


Molecular Formula: C14H23NO
Molecular Weight: 221.38g/mol
Mol File: 69462-53-9.mol
Boiling point: 345.7 °C at 760 mmHg
Flash Point: 142.4 °C
Density: 0.985 g/cm3 
Surface Tension: 34.6 dyne/cm
Enthalpy of Vaporization: 58.98 kJ/mol
Vapour Pressure: 6.06E-05 mmHg at 25°C
XLogP3-AA: 2.9
H-Bond Donor: 0
H-Bond Acceptor: 1
Structure Descriptors of 4-Methyl-1-((6-methyl-3-cyclohexen-1-yl)carbonyl)piperidine (CAS NO.69462-53-9):
  IUPAC Name: (6-Methylcyclohex-3-en-1-yl)-(4-methylpiperidin-1-yl)methanone
  Canonical SMILES: CC1CCN(CC1)C(=O)C2CC=CCC2C
  InChI: InChI=1S/C14H23NO/c1-11-7-9-15(10-8-11)14(16)13-6-4-3-5-12(13)2/h3-4,11-13H,5-10H2,1-2H3 
  InChIKey: JWOJMKMLWCHKQT-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

skn-rbt 500 mg/24H MLD

     AEHA**    U.S. Army, Environmental Hygiene Agency Reports. (Edgewood Arsenal, MD 21010) 51-029-76 .
2.    

eye-rbt 100 mg/24H MLD

     AEHA**    U.S. Army, Environmental Hygiene Agency Reports. (Edgewood Arsenal, MD 21010) 51-029-76 .

Safety Profile

A skin and eye irritant. When heated to decomposition it emits toxic fumes of NOx.

Specification

 4-Methyl-1-((6-methyl-3-cyclohexen-1-yl)carbonyl)piperidine , its CAS NO. is 69462-53-9, the synonyms are AI3-36566 ; Piperidine, 4-methyl-1-((6-methyl-3-cyclohexen-1-yl)carbonyl)- .