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Bis[(4S)-(1-methylethyl)oxazolin-2-yl]methane

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Name

Bis[(4S)-(1-methylethyl)oxazolin-2-yl]methane

EINECS N/A
CAS No. 131833-90-4 Density 1.169 g/cm3
PSA 43.18000 LogP 1.15430
Solubility N/A Melting Point N/A
Formula C13H22N2O2 Boiling Point 308.11 °C at 760 mmHg
Molecular Weight 238.33 Flash Point 115.075 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 131833-90-4 (Bis[(4S)-(1-methylethyl)oxazolin-2-yl]methane) Hazard Symbols N/A
Synonyms

Oxazole,2,2'-methylenebis[4,5-dihydro-4-(1-methylethyl)-, [S-(R*,R*)]-;(4S,4'S)-2,2'-methylenebis[4,5-dihydro-4-(1-methylethyl)oxazole];2,2'-Methylenebis[(4S)-4-isopropyl-2-oxazoline];Bis[(4S)-(1-methylethyl)oxazolin-2-yl]methane;

Article Data 1

Bis[(4S)-(1-methylethyl)oxazolin-2-yl]methane Specification

The Bis[(4S)-(1-methylethyl)oxazolin-2-yl]methane with the CAS number 131833-90-4 is also called Oxazole,2,2'-methylenebis[4,5-dihydro-4-(1-methylethyl)-, (4S,4'S)-. The systematic name is (4S,4'S)-2,2'-methanediylbis[4-(1-methylethyl)-4,5-dihydro-1,3-oxazole]. Its molecular formula is C13H22N2O2. The product categories is Chiral Reagents.

The properties of the Bis[(4S)-(1-methylethyl)oxazolin-2-yl]methane are: (1)ACD/LogP: 1.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 3; (7)ACD/KOC (pH 5.5): 50; (8)ACD/KOC (pH 7.4): 78; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.18 Å2; (13)Index of Refraction: 1.556; (14)Molar Refractivity: 65.503 cm3; (15)Molar Volume: 203.811 cm3; (16)Polarizability: 25.968×10-24cm3; (17)Surface Tension: 34.647 dyne/cm; (18)Enthalpy of Vaporization: 52.686 kJ/mol; (19)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: N\1=C(\OC[C@@H]/1C(C)C)CC/2=N/[C@@H](C(C)C)CO\2
(2)InChI: InChI=1/C13H22N2O2/c1-8(2)10-6-16-12(14-10)5-13-15-11(7-17-13)9(3)4/h8-11H,5-7H2,1-4H3/t10-,11-/m1/s1
(3)InChIKey: KEHOIBBPRFRZFW-GHMZBOCLBB

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