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8-Azabicyclo[3.2.1]octan-3-one,8-(1-methylethyl)-

  • Name 8-Azabicyclo[3.2.1]octan-3-one,8-(1-methylethyl)-
  • EINECS222-315-4
  • CAS No. 3423-28-7
  • Density1.028 g/cm3
  • PSA20.31000
  • LogP1.52860
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC10H17NO
  • Boiling Point254.7 °C at 760 mmHg
  • Molecular Weight167.251
  • Flash Point100.5 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 3423-28-7 (8-isopropyl-8-azabicyclo[3.2.1]octan-3-one)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data4

8-Azabicyclo[3.2.1]octan-3-one,8-(1-methylethyl)- Specification

The 8-Azabicyclo[3.2.1]octan-3-one,8-(1-methylethyl)-, with the CAS registry number 3423-28-7 and EINECS registry number 222-315-4, has the systematic name of 8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-3-one. And the molecular formula of this chemical is C10H17NO.

The physical properties of 8-Azabicyclo[3.2.1]octan-3-one,8-(1-methylethyl)- are as following: (1)ACD/LogP: 0.95; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.03; (4)ACD/LogD (pH 7.4): -0.73; (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): 1.63; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 47.89 cm3; (15)Molar Volume: 162.6 cm3; (16)Polarizability: 18.98×10-24cm3; (17)Surface Tension: 35.4 dyne/cm; (18)Density: 1.028 g/cm3; (19)Flash Point: 100.5 °C; (20)Enthalpy of Vaporization: 49.22 kJ/mol; (21)Boiling Point: 254.7 °C at 760 mmHg; (22)Vapour Pressure: 0.017 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1CC2N(C(C)C)C(C1)CC2
(2)InChI: InChI=1/C10H17NO/c1-7(2)11-8-3-4-9(11)6-10(12)5-8/h7-9H,3-6H2,1-2H3
(3)InChIKey: AKETXTOLBLTPTP-UHFFFAOYAF

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