Basic Information | Post buying leads | Suppliers | Cas Database |
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 | 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 |
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