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N-[(1R)-2,3-Dihydro-6-hydroxy-1H-inden-1-yl]carbamic acid tert-butyl ester Specification

The N-[(1R)-2,3-Dihydro-6-hydroxy-1H-inden-1-yl]carbamic acid tert-butyl ester is an organic compound with the formula C14H19NO3. The systematic name of this chemical is carbamic acid, N-[(1R)-2,3-dihydro-6-hydroxy-1H-inden-1-yl]-, 1,1-dimethylethyl ester . With the CAS registry number 947674-87-5, it is also named as tert-Butyl [(1R)-6-hydroxy-2,3-dihydro-1H-inden-1-yl]carbamate.

Physical properties about N-[(1R)-2,3-Dihydro-6-hydroxy-1H-inden-1-yl]carbamic acid tert-butyl ester are: (1)ACD/LogP: 2.61; (2)ACD/LogD (pH 5.5): 2.61; (3)ACD/LogD (pH 7.4): 2.61; (4)ACD/BCF (pH 5.5): 56.54; (5)ACD/BCF (pH 7.4): 56.44; (6)ACD/KOC (pH 5.5): 625.08; (7)ACD/KOC (pH 7.4): 623.99; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 58.56 Å2; (12)Index of Refraction: 1.564; (13)Molar Refractivity: 68.76 cm3; (14)Molar Volume: 211.2 cm3; (15)Polarizability: 27.26×10-24cm3; (16)Surface Tension: 48 dyne/cm; (17)Density: 1.18 g/cm3; (18)Flash Point: 199.4 °C; (19)Enthalpy of Vaporization: 68.34 kJ/mol; (20)Boiling Point: 406.2 °C at 760 mmHg; (21)Vapour Pressure: 3.54E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)N[C@@H]1CCc2c1cc(cc2)O
(2)InChI: InChI=1/C14H19NO3/c1-14(2,3)18-13(17)15-12-7-5-9-4-6-10(16)8-11(9)12/h4,6,8,12,16H,5,7H2,1-3H3,(H,15,17)/t12-/m1/s1
(3)InChIKey: HWLAUUTUIGOWAB-GFCCVEGCBW
(4)Std. InChI: InChI=1S/C14H19NO3/c1-14(2,3)18-13(17)15-12-7-5-9-4-6-10(16)8-11(9)12/h4,6,8,12,16H,5,7H2,1-3H3,(H,15,17)/t12-/m1/s1
(5)Std. InChIKey: HWLAUUTUIGOWAB-GFCCVEGCSA-N

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