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Carbamic acid,[(3S)-tetrahydro-5-oxo-3-furanyl]-, 1,1-dimethylethyl ester (9CI) (104227-71-6)

Identification
Name:Carbamic acid,[(3S)-tetrahydro-5-oxo-3-furanyl]-, 1,1-dimethylethyl ester (9CI)
Synonyms:Carbamicacid, (tetrahydro-5-oxo-3-furanyl)-, 1,1-dimethylethyl ester, (S)-;
CAS:104227-71-6
Molecular Formula: C9H15NO4
Molecular Weight: 201.22
InChI: InChI=1/C9H15NO4/c1-9(2,3)14-8(12)10-6-4-7(11)13-5-6/h6H,4-5H2,1-3H3,(H,10,12)/t6-/m0/s1
Molecular Structure: (C9H15NO4) Carbamicacid, (tetrahydro-5-oxo-3-furanyl)-, 1,1-dimethylethyl ester, (S)-;
Properties
Density:1.15g/cm3
Refractive index:1.474
Specification:

The IUPAC name of (S)-3-Boc-Amino-gamma-butyrolactone is tert-butyl N-[(3S)-5-oxooxolan-3-yl]carbamate . With the CAS registry number 104227-71-6, it is also named as Carbamic acid, N-[(3S)-tetrahydro-5-oxo-3-furanyl]-, 1,1-dimethylethyl ester ; tert-Butyl [(3S)-5-oxotetrahydrofuran-3-yl]carbamate ; (S)-3-Boc-aminotetrahydrofuran-5-one . The product's categories are pharmacetical, tetrahydrofuran series.

The other characteristics of this product can be summarized as: (1)ACD/BCF (pH 5.5): 1 ; (2)ACD/BCF (pH 7.4): 1 ; (3)ACD/KOC (pH 5.5): 23 ; (4)ACD/KOC (pH 7.4): 23 ; (5)#H bond acceptors: 5 ; (6)#H bond donors: 1 ; (7)#Freely Rotating Bonds: 3 ; (8)Index of Refraction: 1.474 ; (9)Molar Refractivity: 49.021 cm3 ; (10)Molar Volume: 174.427 cm3 ; (11)Polarizability: 19.433×10-24 cm3 ; (12)Surface Tension: 38.474 dyne/cm ; (13)Enthalpy of Vaporization: 60.982 kJ/mol ; (14)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure. SMILES: CC(C)(C)OC(=O)N[C@H]1CC(=O)OC1; InChI: InChI=1/C9H15NO4/c1-9(2,3)14-8(12)10-6-4-7(11)13-5-6/h6H,4-5H2,1-3H3,(H,10,12)/t6-/m0/s1. (S)-3-Boc-Amino-gamma-butyrolactone has many suppliers, such as  Chengdu Altus Bio-Technology Co., Ltd., Shanghai LIC Pharmaceutical Co., Ltd. and Shanghai Yurlic Chemical S&T Co., Ltd..

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