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118949-61-4

Basic Information
CAS No.: 118949-61-4
Name: (S,S)-2,6-BIS(4-ISOPROPYL-2-OXAZOLIN-2-YL)PYRIDINE
Article Data: 11
Molecular Structure:
Molecular Structure of 118949-61-4 ((S,S)-2,6-BIS(4-ISOPROPYL-2-OXAZOLIN-2-YL)PYRIDINE)
Formula: C17H23N3O2
Molecular Weight: 301.389
Synonyms: (4S)-4-propan-2-yl-2-[6-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]pyridin-2-yl]-4,5-dihydro-1,3-oxazole;(S,S)-2,6-Bis(4-isopropyl-2-oxazolin-2-yl)pyridine;2,6-Bis((S)-4-isopropyl-4,5-dihydrooxazol-2-yl)pyridine;
Density: 1.23 g/cm3
Melting Point: 155-157 °C(lit.)
Boiling Point: 457.1 °C at 760mmHg
Flash Point: 230.2 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 56.07000
LogP: 1.55560
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Specification

The systematic name of 2,6-Bis[(4S)-(-)-isopropyl-2-oxazolin-2-yl]pyridine is 2,6-bis[(4S)-4-(propan-2-yl)-4,5-dihydro-1,3-oxazol-2-yl]pyridine. With the CAS registry number 118949-61-4, it is also named as pyridine, 2,6-bis[(4S)-4,5-dihydro-4-(1-methylethyl)-2-oxazolyl]-; 4-isopropyl-2-[6-(4-isopropyl-4,5-dihydro-1,3-oxazol-2-yl)-2-pyridyl]-4,5-dihydro-1,3-oxazole. The product's categories are asymmetric synthesis and synthetic organic chemistry. It must be stored in refrigerator, sealed in a container and avoid direct sunshine. The price of this product changes with the market.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Index of Refraction: 1.607; (7)Molar Refractivity: 84.44 cm3; (8)Molar Volume: 244.3 cm3; (9)Polarizability: 33.47×10-24 cm3; (10)Surface Tension: 39.8 dyne/cm; (11)Density: 1.23 g/cm3; (12)Flash Point: 230.2 °C; (13)Enthalpy of Vaporization: 68.96 kJ/mol; (14)Boiling Point: 457.1 °C at 760 mmHg; (15)Vapour Pressure: 4.18E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure.
1. SMILES: n2c(C/1=N/[C@@H](C(C)C)CO\1)cccc2C/3=N/[C@@H](C(C)C)CO\3;
2. InChI: InChI=1/C17H23N3O2/c1-10(2)14-8-21-16(19-14)12-6-5-7-13(18-12)17-20-15(9-22-17)11(3)4/h5-7,10-11,14-15H,8-9H2,1-4H3/t14-,15-/m1/s1.