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1-(2-Piperidinyl)ethanone

  • Name 1-(2-Piperidinyl)ethanone
  • EINECSN/A
  • CAS No. 97073-22-8
  • Density0.95 g/cm3
  • PSA29.10000
  • LogP1.04630
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC7H13NO
  • Boiling Point201.6 °C at 760 mmHg
  • Molecular Weight127.186
  • Flash Point86.1 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 97073-22-8 (1-PIPERIDIN-2-YL-ETHANONE)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data3

1-(2-Piperidinyl)ethanone Specification

The 1-(2-Piperidinyl)ethanone is an organic compound with the formula C7H13NO. The systematic name of this chemical is 1-(piperidin-2-yl)ethanone. With the CAS registry number 97073-22-8, it is also named as 2-Acetylpiperidine. The product's category is Acetyl Group. 

The other characteristics of this product can be summarized as: (1)ACD/LogP: 0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.9; (4)ACD/LogD (pH 7.4): -1.81; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 35.61 cm3; (15)Molar Volume: 133.7 cm3; (16)Polarizability: 14.11×10-24 cm3; (17)Surface Tension: 29.6 dyne/cm; (18)Density: 0.95 g/cm3; (19)Flash Point: 86.1 °C; (20)Enthalpy of Vaporization: 43.78 kJ/mol; (21)Boiling Point: 201.6 °C at 760 mmHg; (22)Vapour Pressure: 0.305 mmHg at 25°C.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C(C)C1NCCCC1
2. InChI:InChI=1/C7H13NO/c1-6(9)7-4-2-3-5-8-7/h7-8H,2-5H2,1H3 
3. InChIKey:SHTKZOSFNVMLJZ-UHFFFAOYAO
4. Std. InChI:InChI=1S/C7H13NO/c1-6(9)7-4-2-3-5-8-7/h7-8H,2-5H2,1H3 
5. Std. InChIKey:SHTKZOSFNVMLJZ-UHFFFAOYSA-N 

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