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| CAS No.: | 76272-34-9 |
|---|---|
| Name: | 8-BENZYL-1AH,5AH-NORTROPAN-3-ONE OXIME |
| Article Data: | 20 |
| Molecular Structure: | |
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| Formula: | C14H18N2O |
| Molecular Weight: | 230.31 |
| Synonyms: | 8-Benzyl-3-nortropanoneoxime;8-Benzyl-8-azabicyclo[3.2.1]octan-3-one oxime;N-Benzyltropinone oxime; |
| Density: | 1.243 g/cm3 |
| Melting Point: | 124℃ |
| Boiling Point: | 372.216 °C at 760 mmHg |
| Flash Point: | 178.91 °C |
| PSA: | 35.83000 |
| LogP: | 2.58150 |
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Specification
The CAS registry number of 8-Azabicyclo[3.2.1]octan-3-one,8-(phenylmethyl)-,oxime is 76272-34-9. The systematic name is 8-benzyl-N-hydroxy-8-azabicyclo[3.2.1]octan-3-imine. In addition, the molecular formula is C14H18N2O and the molecular weight is 230.31. It can be used as an intermediate in the preparation of antibacterial agents, chemokine receptor ligands and tyrosine kinase signal transduction inhibitors.
Physical properties about 8-Azabicyclo[3.2.1]octan-3-one,8-(phenylmethyl)-,oxime are: (1)ACD/LogP: 1.94 ; (2)ACD/LogD (pH 7.4): 1; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 5; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 72; (7)#H bond acceptors: 3; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 35.83 Å2; (11)Index of Refraction: 1.647; (12)Molar Refractivity: 67.28 cm3; (13)Molar Volume: 185.236 cm3; (14)Polarizability: 26.672 ×10-24cm3; (15)Surface Tension: 48.983 dyne/cm; (16)Density: 1.243 g/cm3; (17)Flash Point: 178.91 °C; (18)Enthalpy of Vaporization: 65.338 kJ/mol; (19)Boiling Point: 372.216 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: O\N=C1/CC3CCC(C1)N3Cc2ccccc2
(2)InChI: InChI=1/C14H18N2O/c17-15-12-8-13-6-7-14(9-12)16(13)10-11-4-2-1-3-5-11/h1-5,13-14,17H,6-10H2
(3)InChIKey: KFSOYEAOVNOZNU-UHFFFAOYAA