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220077-24-7

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Basic Information
CAS No.: 220077-24-7
Name: (5S)-N-(tert-Butoxycarbonyl)-3,4,5,6-tetrahydro-5-phenyl-4(H)-1,4-oxazin-2-one
Article Data: 3
Molecular Structure:
Molecular Structure of 220077-24-7 ((5S)-N-(tert-Butoxycarbonyl)-3,4,5,6-tetrahydro-5-phenyl-4(H)-1,4-oxazin-2-one)
Formula: C15H19NO4
Molecular Weight: 277.32
Synonyms: (S)-3-Phenyl-6-oxomorpholine-4-carboxylicacid tert-butyl ester;4-Morpholinecarboxylic acid, 2-oxo-5-phenyl-, 1,1-dimethylethyl ester, (5S)-;Tert-Butyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate;(5S)-N-(Tert-butoxycarbonyl)-3,4,5,6-tetrahydro-5-phenyl-4(H)-1,4-oxazin-2-one;AC-4309;CID10945746;TL80090016;
Density: 1.173 g/cm3
Boiling Point: 435.361 °C at 760 mmHg
Flash Point: 217.099 °C
PSA: 55.84000
LogP: 2.45950
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Specification

The (5S)-N-(tert-Butoxycarbonyl)-3,4,5,6-tetrahydro-5-phenyl-4(H)-1,4-oxazin-2-one with CAS registry number of 220077-24-7 is also known as 4-Morpholinecarboxylic acid, 2-oxo-5-phenyl-, 1,1-dimethylethyl ester, (5S)-. The IUPAC name is Tert-butyl (5S)-2-oxo-5-phenylmorpholine-4-carboxylate. In addition, the formula is C15H19NO4 and the molecular weight is 277.32.

Physical properties about (5S)-N-(tert-Butoxycarbonyl)-3,4,5,6-tetrahydro-5-phenyl-4(H)-1,4-oxazin-2-one are: (1)ACD/LogP: 1.60; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 7; (6)ACD/BCF (pH 7.4): 7; (7)ACD/KOC (pH 5.5): 144; (8)ACD/KOC (pH 7.4): 144; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.84Å2; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 73.008 cm3; (15)Molar Volume: 236.423 cm3; (16)Polarizability: 28.943×10-24cm3; (17)Surface Tension: 43.26 dyne/cm; (18)Density: 1.173 g/cm3; (19)Flash Point: 217.099 °C; (20)Enthalpy of Vaporization: 69.163 kJ/mol; (21)Boiling Point: 435.361 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: CC(C)(C)OC(=O)N2CC(=O)OC[C@@H]2c1ccccc1
2. InChI: InChI=1/C15H19NO4/c1-15(2,3)20-14(18)16-9-13(17)19-10-12(16)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-/m1/s1
3. InChIKey: CZACTLXFENUALF-GFCCVEGCBO
4. Std. InChI: InChI=1S/C15H19NO4/c1-15(2,3)20-14(18)16-9-13(17)19-10-12(16)11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-/m1/s1
5. Std. InChIKey: CZACTLXFENUALF-GFCCVEGCSA-N