Name: (R,R)-(-)-2,2'-Isopropylidenebis(4-tert-butyl-2-oxazoline)
SKU: 131833-97-1

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Basic Information

Molecular Structure:
CAS No.:	131833-97-1
Name:	(R,R)-(-)-2,2'-Isopropylidenebis(4-tert-butyl-2-oxazoline)
Article Data:	1

Formula:	C₁₇H₃₀N₂O₂
Molecular Weight:	294.437
Synonyms:	(4R,4'R)-2,2'-propane-2,2-diylbis(4-tert-butyl-4,5-dihydro-1,3-oxazole);oxazole, 2,2'-(1-methylethylidene)bis[4-(1,1-dimethylethyl)-4,5-dihydro-, (4R,4'R)-;
Density:	1.048 g/cm³
Melting Point:	88.0 to 92.0 °C
Boiling Point:	350.424 °C at 760 mmHg
Flash Point:	134.912 °C
Risk Codes:	36/37/38
Safety:	26-36
PSA:	43.18000
LogP:	2.57060

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Specification

The (R,R)-(-)-2,2'-Isopropylidenebis(4-tert-butyl-2-oxazoline), with the CAS registry number 131833-97-1, has the systematic name of (4R,4'R)-2,2'-propane-2,2-diylbis(4-tert-butyl-4,5-dihydro-1,3-oxazole). It belongs to the product categories of Amino Alcohols & Deriv and Chirl Chemicals. And the molecular formula of the chemical is C₁₇H₃₀N₂O₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 3.00; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.603; (4)ACD/LogD (pH 7.4): 2.995; (5)ACD/BCF (pH 5.5): 44.893; (6)ACD/BCF (pH 7.4): 110.789; (7)ACD/KOC (pH 5.5): 407.734; (8)ACD/KOC (pH 7.4): 1006.23; (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: 1.516; (14)Molar Refractivity: 84.797 cm³; (15)Molar Volume: 280.815 cm³; (16)Polarizability: 33.616×10^-24cm³; (17)Surface Tension: 31.165 dyne/cm; (18)Density: 1.048 g/cm³; (19)Flash Point: 134.912 °C; (20)Enthalpy of Vaporization: 57.152 kJ/mol; (21)Boiling Point: 350.424 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: CC(C)(C)[C@@H]1COC(=N1)C(C)(C)C2=N[C@@H](CO2)C(C)(C)C
(2)InChI: InChI=1/C17H30N2O2/c1-15(2,3)11-9-20-13(18-11)17(7,8)14-19-12(10-21-14)16(4,5)6/h11-12H,9-10H2,1-8H3/t11-,12-/m0/s1
(3)InChIKey: DPMGLJUMNRDNMX-RYUDHWBXBI