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(+/-)-Pseudopelletierine oxime

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Name

(+/-)-Pseudopelletierine oxime

EINECS 1312995-182-4
CAS No. 6164-67-6 Density 1.27 g/cm3
PSA 35.83000 LogP 1.40120
Solubility N/A Melting Point 126-127 °C
Formula C9H16NO2 Boiling Point 281 °C at 760 mmHg
Molecular Weight 168.239 Flash Point 123.8 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 6164-67-6 ((+/-)-Pseudopelletierine oxime) Hazard Symbols N/A
Synonyms

(?à)-Pseudopelletierine oxime;

Article Data 2

(+/-)-Pseudopelletierine oxime Specification

The (+/-)-Pseudopelletierine oxime is an organic compound with the formula C9H16NO2. The systematic name of this chemical is 9-methyl-9-azabicyclo[3.3.1]nonan-3-one oxime. With the CAS registry number 6164-67-6, it is also named as endo-9-methyl-9-azbicyclo[3,3,1]non-3-ylamine. The product's category is Pharmaceutical Intermediates.

Physical properties about (+/-)-Pseudopelletierine oxime are: (1)ACD/LogP: 0.99; (2)#H bond acceptors: 3; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 1; (5)Polar Surface Area: 24.83 Å2; (6)Index of Refraction: 1.622; (7)Molar Refractivity: 46.59 cm3; (8)Molar Volume: 132.2 cm3; (9)Polarizability: 18.47×10-24cm3; (10)Surface Tension: 45.9 dyne/cm; (11)Density: 1.27 g/cm3; (12)Flash Point: 123.8 °C; (13)Enthalpy of Vaporization: 57.2 kJ/mol; (14)Boiling Point: 281 °C at 760 mmHg; (15)Vapour Pressure: 0.000967 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O\N=C1\CC2N(C(C1)CCC2)C
(2)InChI: InChI=1/C9H16N2O/c1-11-8-3-2-4-9(11)6-7(5-8)10-12/h8-9,12H,2-6H2,1H3
(3)InChIKey: PUMZOLVVVUXXHJ-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H16N2O/c1-11-8-3-2-4-9(11)6-7(5-8)10-12/h8-9,12H,2-6H2,1H3
(5)Std. InChIKey: PUMZOLVVVUXXHJ-UHFFFAOYSA-N

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