-
Name
(+/-)-Pseudopelletierine oxime
- EINECS 1312995-182-4
- CAS No. 6164-67-6
- Article Data2
- CAS DataBase
- Density 1.27 g/cm3
- Solubility
- 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
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms (?à)-Pseudopelletierine oxime;
- PSA 35.83000
- LogP 1.40120
(+/-)-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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