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CAS No.: | 87219-29-2 |
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Name: | Benzyl (S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate |
Article Data: | 14 |
Molecular Structure: | |
Formula: | C12H13NO4 |
Molecular Weight: | 235.24 |
Synonyms: | Carbamicacid, (tetrahydro-5-oxo-3-furanyl)-, phenylmethyl ester, (S)-;Carbamic acid, [(3S)-tetrahydro-5-oxo-3-furanyl]-,phenylmethyl ester (9CI);(S)-3-[(Benzyloxycarbonyl)amino]-g-butryolactone;Benzyl(S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate; |
Density: | 1.272 g/cm3 |
Melting Point: | 103-105 °C(lit.) |
Boiling Point: | 466.087 °C at 760 mmHg |
Flash Point: | 235.681 °C |
Hazard Symbols: | Xi |
Risk Codes: | 43 |
Safety: | 36/37-24/25 |
PSA: | 64.63000 |
LogP: | 1.61920 |
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The CAS register number of Benzyl (S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate is 87219-29-2. It also can be called as (S)-(Tetrahydro-5-oxo-3-furanyl)carbamic acid phenylmethyl ester and the IUPAC name about this chemical is benzyl N-[(3S)-5-oxooxolan-3-yl]carbamate. The molecular formula about this chemical is C12H13NO4 and molecular weight is 235.24. It belongs to the following product categories, such as N-CBZ; chiral; Chiral Reagents; Chiral Building Blocks; Furans; Heterocyclic Building Blocks and so on.
Physical properties about Benzyl (S)-(-)-tetrahydro-5-oxo-3-furanylcarbamate are: (1)ACD/LogP: 0.47; (2)ACD/LogD (pH 5.5): 0.471; (3)ACD/LogD (pH 7.4): 0.471; (4)ACD/BCF (pH 5.5): 1.343; (5)ACD/BCF (pH 7.4): 1.343; (6)ACD/KOC (pH 5.5): 42.986; (7)ACD/KOC (pH 7.4): 42.972; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 64.63Å2; (12)Index of Refraction: 1.561; (13)Molar Refractivity: 59.836 cm3; (14)Molar Volume: 184.887 cm3; (15)Polarizability: 23.721x10-24cm3; (16)Surface Tension: 50.057 dyne/cm; (17)Enthalpy of Vaporization: 72.782 kJ/mol; (18)Boiling Point: 466.087 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(cc1)COC(=O)N[C@H]2CC(=O)OC2
(2)InChI: InChI=1/C12H13NO4/c14-11-6-10(8-16-11)13-12(15)17-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)/t10-/m0/s1
(3)InChIKey: BNIBNUOPVTZWRT-JTQLQIEIBH
(4)Std. InChI: InChI=1S/C12H13NO4/c14-11-6-10(8-16-11)13-12(15)17-7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,13,15)/t10-/m0/s1
(5)Std. InChIKey: BNIBNUOPVTZWRT-JTQLQIEISA-N