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(1R,2S,5R)-5-Methyl-2-isopropylcyclohexyl 5-oxo-L-prolinate

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Name

(1R,2S,5R)-5-Methyl-2-isopropylcyclohexyl 5-oxo-L-prolinate

EINECS 264-935-8
CAS No. 64519-44-4 Density 1.07 g/cm3
PSA 55.40000 LogP 2.59780
Solubility Melting Point
Formula C15H25NO3 Boiling Point 409.1 °C at 760 mmHg
Molecular Weight 267.36 Flash Point 201.2 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 64519-44-4 ((1R,2S,5R)-5-Methyl-2-isopropylcyclohexyl 5-oxo-L-prolinate) Hazard Symbols
Synonyms

L-Proline,5-oxo-, 5-methyl-2-(1-methylethyl)cyclohexyl ester, [1R-(1a,2b,5a)]-;Menthyl PCA;Questice;

 

(1R,2S,5R)-5-Methyl-2-isopropylcyclohexyl 5-oxo-L-prolinate Specification

The (1R,2S,5R)-5-Methyl-2-isopropylcyclohexyl 5-oxo-L-prolinate is an organic compound with the formula C15H25NO3. The systematic name of this chemical is (1R,2S,5R)-5-methyl-2-(propan-2-yl)cyclohexyl 5-oxo-L-prolinate. With the CAS registry number 64519-44-4, it is also named as L-proline, 5-oxo-, (1R,2S,5R)-5-methyl-2-(1-methylethyl)cyclohexyl ester.

Physical properties about (1R,2S,5R)-5-Methyl-2-isopropylcyclohexyl 5-oxo-L-prolinate are: (1)ACD/LogP: 2.00; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 19.43; (5)ACD/BCF (pH 7.4): 19.43; (6)ACD/KOC (pH 5.5): 291.06; (7)ACD/KOC (pH 7.4): 291.06; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 46.61 Å2; (12)Index of Refraction: 1.496; (13)Molar Refractivity: 72.92 cm3; (14)Molar Volume: 249.4 cm3; (15)Polarizability: 28.9×10-24cm3; (16)Surface Tension: 38.3 dyne/cm; (17)Density: 1.07 g/cm3; (18)Flash Point: 201.2 °C; (19)Enthalpy of Vaporization: 66.12 kJ/mol; (20)Boiling Point: 409.1 °C at 760 mmHg; (21)Vapour Pressure: 6.65E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[C@H]1[C@H](C(C)C)CC[C@@H](C)C1)[C@H]2NC(=O)CC2
(2)InChI: InChI=1/C15H25NO3/c1-9(2)11-5-4-10(3)8-13(11)19-15(18)12-6-7-14(17)16-12/h9-13H,4-8H2,1-3H3,(H,16,17)/t10-,11+,12+,13-/m1/s1
(3)InChIKey: SLHPMAOXNSLXEH-MROQNXINBG
(4)Std. InChI: InChI=1S/C15H25NO3/c1-9(2)11-5-4-10(3)8-13(11)19-15(18)12-6-7-14(17)16-12/h9-13H,4-8H2,1-3H3,(H,16,17)/t10-,11+,12+,13-/m1/s1
(5)Std. InChIKey: SLHPMAOXNSLXEH-MROQNXINSA-N

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