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CAS No.: | 40856-59-5 |
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Name: | (S)-(-)-alpha-(Boc-Amino)-gamma-butyrolactone |
Article Data: | 23 |
Molecular Structure: | |
Formula: | C9H15NO4 |
Molecular Weight: | 201.222 |
Synonyms: | Carbamicacid, (tetrahydro-2-oxo-3-furanyl)-, 1,1-dimethylethyl ester, (S)-;Carbamicacid, [(3S)-tetrahydro-2-oxo-3-furanyl]-, 1,1-dimethylethyl ester (9CI);N-(tert-Butoxycarbonyl)-L-homoserine lactone;N-Boc-(L)-homoserine lactone;tert-Butyl ((3S)-2-Oxotetrahydrofuran-3-yl)carbamate; |
Density: | 1.15 g/cm3 |
Boiling Point: | 363.7 °C at 760 mmHg |
Flash Point: | 173.8 °C |
PSA: | 64.63000 |
LogP: | 1.21750 |
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The Carbamic acid,N-[(3S)-tetrahydro-2-oxo-3-furanyl]-, 1,1-dimethylethyl ester with the CAS number 40856-59-5 is also called N-(tert-Butoxycarbonyl)-L-homoserine lactone. The systematic name is tert-butyl [(3S)-2-oxotetrahydrofuran-3-yl]carbamate. Its molecular formula is C9H15NO4. This chemical is a kind of organics. It should be stored in dry and cool environment.
The properties of the Carbamic acid,N-[(3S)-tetrahydro-2-oxo-3-furanyl]-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 0; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 0; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 23.85; (8)ACD/KOC (pH 7.4): 23.85; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.474; (14)Molar Refractivity: 49.02 cm3; (15)Molar Volume: 174.4 cm3; (16)Polarizability: 19.43×10-24cm3; (17)Surface Tension: 38.4 dyne/cm; (18)Enthalpy of Vaporization: 60.98 kJ/mol; (19)Vapour Pressure: 1.77×10-5 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@@H]1C(=O)OCC1
(2)InChI: InChI=1/C9H15NO4/c1-9(2,3)14-8(12)10-6-4-5-13-7(6)11/h6H,4-5H2,1-3H3,(H,10,12)/t6-/m0/s1
(3)InChIKey: IMWMFJMYEKHYKG-LURJTMIEBD