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1034706-81-4

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Basic Information
CAS No.: 1034706-81-4
Name: (+)-N-Acetyl 3,4,4a,5,6,10b-Hexahydro-2H-naphtho[1,2-β][1,4]oxazine-9-ol Triisopropylsilyl Ether
Molecular Structure:
Molecular Structure of 1034706-81-4 ((+)-N-Acetyl 3,4,4a,5,6,10b-Hexahydro-2H-naphtho[1,2-β][1,4]oxazine-9-ol Triisopropylsilyl Ether)
Formula: C23H37NO3Si
Molecular Weight: 403.637
Synonyms: (+)-N-Acetyl 3,4,4a,5,6,10b-Hexahydro-2H-naphtho[1,2-β][1,4]oxazine-9-ol Triisopropylsilyl Ether;
Density: 1.023 g/cm3
Boiling Point: 486.718 °C at 760 mmHg
Flash Point: 248.159 °C
PSA: 38.77000
LogP: 5.41340
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  • (+)-N-Acetyl 3,4,4a,5,6,10b-Hexahydro-2H-naphtho[1,2-b][1,4]oxazine-9-ol Triisopropylsilyl Ether

  • Casno:

    1034706-81-4

    (+)-N-Acetyl 3,4,4a,5,6,10b-Hexahydro-2H-naphtho[1,2-b][1,4]oxazine-9-ol Triisopropylsilyl Ether

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    We are committed to providing our customers with the best products and services at the most competitive prices.Appearance:off-white powder Storage:Room temperature with sealed well Package:according to the clients requirement Application:Use as prima

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Specification

The 1-[(4aR,10bR)-2,3,4a,5,6,10b-Hexahydro-9-[[tris(1-methylethyl)silyl]oxy]-4H-naphth[1,2-b]-1,4-oxazin-4-yl]ethanone with its cas register number is 1034706-81-4. It also can be called as (+)-N-Acetyl 3,4,4a,5,6,10b-Hexahydro-2H-naphtho[1,2-β][1,4]oxazine-9-ol Triisopropylsilyl Ether and the Systematic name about this chemical is 1-[(4aR,10bR)-9-triisopropylsilyloxy-2,3,4a,5,6,10b-hexahydrobenzo[h][1,4]benzoxazin-4-yl]ethanone. It belongs to the following product categories, such as Chiral Reagents, Heterocycles, Intermediates & Fine Chemicals, Pharmaceuticals and so on.

Physical properties about 1-[(4aR,10bR)-2,3,4a,5,6,10b-Hexahydro-9-[[tris(1-methylethyl)silyl]oxy]-4H-naphth[1,2-b]-1,4-oxazin-4-yl]ethanone are: (1)ACD/LogP: 2.29; (2)ACD/LogD (pH 5.5): 2.285; (3)ACD/LogD (pH 7.4): 2.285; (4)ACD/BCF (pH 5.5): 32.084; (5)ACD/BCF (pH 7.4): 32.084; (6)ACD/KOC (pH 5.5): 416.695; (7)ACD/KOC (pH 7.4): 416.695; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 38.77Å2; (11)Index of Refraction: 1.505; (12)Molar Refractivity: 117.026 cm3; (13)Molar Volume: 394.515 cm3; (14)Polarizability: 46.393x10-24cm3; (15)Surface Tension: 32.821 dyne/cm; (16)Enthalpy of Vaporization: 75.248 kJ/mol

The 1-[(4aR,10bR)-2,3,4a,5,6,10b-Hexahydro-9-[[tris(1-methylethyl)silyl]oxy]-4H-naphth[1,2-b]-1,4-oxazin-4-yl]ethanone can be used as PHNO precursor. It also can be used for the preparation of radiolabeled amines, which are useful in Positron Emission Tomog. (PET) and Single Photon Emission Computed Tomog. (SPECT), and hence, can be utilized for imaging neuro-receptors with radiolabeled agonists.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)[Si](C(C)C)(C(C)C)Oc1ccc2c(c1)[C@@H]3[C@@H](CC2)N(CCO3)C(=O)C
(2)InChI: InChI=1/C23H37NO3Si/c1-15(2)28(16(3)4,17(5)6)27-20-10-8-19-9-11-22-23(21(19)14-20)26-13-12-24(22)18(7)25/h8,10,14-17,22-23H,9,11-13H2,1-7H3/t22-,23-/m1/s1
(3)InChIKey: XZZQCTZCKHVBLF-DHIUTWEWBZ
(4)Std. InChI: InChI=1S/C23H37NO3Si/c1-15(2)28(16(3)4,17(5)6)27-20-10-8-19-9-11-22-23(21(19)14-20)26-13-12-24(22)18(7)25/h8,10,14-17,22-23H,9,11-13H2,1-7H3/t22-,23-/m1/s1
(5)Std. InChIKey: XZZQCTZCKHVBLF-DHIUTWEWSA-N