CAS No.134870-62-5,(S)-2,5-Dihydro-3,6-diethoxy-2-isopropylpyrazine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	134870-62-5
Name:	(S)-2,5-Dihydro-3,6-diethoxy-2-isopropylpyrazine
Article Data:	5

Formula:	C₁₁H₂₀N₂O₂
Molecular Weight:	212.29
Synonyms:	Pyrazine,3,6-diethoxy-2,5-dihydro-2-(1-methylethyl)-, (S)-;Schoellkopf chiral auxiliary;(2S)-3,6-Diethoxy-2-isopropyl-2,5-dihydropyrazine;Pyrazine,3,6-diethoxy-2,5-dihydro-2-(1-methylethyl)-, (2S)-;
Density:	1.061 g/cm³
Boiling Point:	282.036 °C at 760 mmHg
Flash Point:	102.851 °C
PSA:	43.18000
LogP:	0.76580

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Specification

The (S)-2,5-Dihydro-3,6-diethoxy-2-isopropylpyrazine, with the CAS registry number 134870-62-5, is also known as Pyrazine,3,6-diethoxy-2,5-dihydro-2-(1-methylethyl)-, (2S)-. It belongs to the product category of Ethoxy. This chemical's molecular formula is C₁₁H₂₀N₂O₂ and molecular weight is 212.29. What's more, its systematic name is (2S)-3,6-Diethoxy-2-isopropyl-2,5-dihydropyrazine.

Physical properties of (S)-2,5-Dihydro-3,6-diethoxy-2-isopropylpyrazine are: (1)ACD/LogP: 0.663; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.76; (4)ACD/LogD (pH 7.4): 0.51; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.31; (7)ACD/KOC (pH 5.5): 2.05; (8)ACD/KOC (pH 7.4): 38.08; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 43.18 Å²; (13)Index of Refraction: 1.5; (14)Molar Refractivity: 58.835 cm³; (15)Molar Volume: 200.104 cm³; (16)Polarizability: 23.324×10^-24cm³; (17)Surface Tension: 30.97 dyne/cm; (18)Density: 1.061 g/cm³; (19)Flash Point: 102.851 °C; (20)Enthalpy of Vaporization: 49.995 kJ/mol; (21)Boiling Point: 282.036 °C at 760 mmHg; (22)Vapour Pressure: 0.006 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC1=N[C@H](C(=NC1)OCC)C(C)C
(2)Std. InChI: InChI=1S/C11H20N2O2/c1-5-14-9-7-12-11(15-6-2)10(13-9)8(3)4/h8,10H,5-7H2,1-4H3/t10-/m0/s1
(3)Std. InChIKey: HRAZLOIRFUQOPL-JTQLQIEISA-N