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| CAS No.: | 207122-29-0 |
|---|---|
| Name: | (S)-tert-Butyl 1-(tert-butyldimethylsilyloxy)-3-phenylpropan-2-ylcarbamate |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C20H35NO3Si |
| Molecular Weight: | 365.588 |
| Synonyms: | carbamic acid, N-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl ester; |
| Density: | 0.974 g/cm3 |
| Boiling Point: | 434.9 °C at 760 mmHg |
| Flash Point: | 216.8 °C |
| PSA: | 47.56000 |
| LogP: | 5.53510 |
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Specification
The (S)-tert-Butyl 1-(tert-butyldimethylsilyloxy)-3-phenylpropan-2-ylcarbamate with the CAS number 207122-29-0 is also called carbamic acid, N-[2-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-1-(phenylmethyl)ethyl]-, 1,1-dimethylethyl ester. The systematic name is tert-butyl (1-{[tert-butyl(dimethyl)silyl]oxy}-3-phenylpropan-2-yl)carbamate. Its molecular formula is C20H35NO3Si.
The properties of the chemical are: (1)ACD/LogP: 6.23; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.23; (4)ACD/LogD (pH 7.4): 6.23; (5)ACD/BCF (pH 5.5): 32094.18; (6)ACD/BCF (pH 7.4): 32093.44; (7)ACD/KOC (pH 5.5): 58517.32; (8)ACD/KOC (pH 7.4): 58515.96; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 38.77 Å2; (13)Index of Refraction: 1.482; (14)Molar Refractivity: 107.11 cm3; (15)Molar Volume: 375.2 cm3; (16)Polarizability: 42.46×10-24cm3; (17)Surface Tension: 30.3 dyne/cm; (18)Enthalpy of Vaporization: 69.11 kJ/mol; (19)Vapour Pressure: 9.14×10-8 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NC(Cc1ccccc1)CO[Si](C(C)(C)C)(C)C
(2)InChI: InChI=1/C20H35NO3Si/c1-19(2,3)24-18(22)21-17(14-16-12-10-9-11-13-16)15-23-25(7,8)20(4,5)6/h9-13,17H,14-15H2,1-8H3,(H,21,22)
(3)InChIKey: QBMRSKHHBWAVDB-UHFFFAOYAF