Product Name

  • Name

    (S)-2-[4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-6-methylpyridine

  • EINECS
  • CAS No. 199277-80-0
  • Article Data5
  • CAS DataBase
  • Density 1.077 g/cm3
  • Solubility
  • Melting Point
  • Formula C13H18N2O
  • Boiling Point 328.755 °C at 760 mmHg
  • Molecular Weight 218.299
  • Flash Point 152.626 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 199277-80-0 ((S)-2-[4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-6-methylpyridine)
  • Hazard Symbols
  • Synonyms Pyridine,2-[4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]-6-methyl-, (S)-;(S)-2-[4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-6-methylpyridine;
  • PSA 34.48000
  • LogP 2.01710

2-[(4S)-4-(tert-Butyl)-4,5-dihydro-2-oxazolyl]-6-methylpyridine Specification

The CAS register number of 2-[(4S)-4-(tert-Butyl)-4,5-dihydro-2-oxazolyl]-6-methylpyridine is 199277-80-0. It also can be called as (S)-2-[4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-6-methylpyridine and the systematic name about this chemical is 2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-6-methylpyridine. The molecular formula about this chemical is C13H18N2O and the molecular weight is 218.29. It belongs to the Chiral Reagents.

Physical properties about 2-[(4S)-4-(tert-Butyl)-4,5-dihydro-2-oxazolyl]-6-methylpyridine are: (1)ACD/LogP: 2.51; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 49; (5)ACD/BCF (pH 7.4): 50; (6)ACD/KOC (pH 5.5): 562; (7)ACD/KOC (pH 7.4): 574; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 34.48Å2; (11)Index of Refraction: 1.551; (12)Molar Refractivity: 64.647 cm3; (13)Molar Volume: 202.663 cm3; (14)Polarizability: 25.628x10-24cm3; (15)Surface Tension: 34.226 dyne/cm; (16)Enthalpy of Vaporization: 54.85 kJ/mol; (17)Boiling Point: 328.755 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: n2c(C/1=N/[C@@H](C(C)(C)C)CO\1)cccc2C
(2)InChI: InChI=1/C13H18N2O/c1-9-6-5-7-10(14-9)12-15-11(8-16-12)13(2,3)4/h5-7,11H,8H2,1-4H3/t11-/m1/s1
(3)InChIKey: NHWBZSGKOQHPDW-LLVKDONJBD
(4)Std. InChI: InChI=1S/C13H18N2O/c1-9-6-5-7-10(14-9)12-15-11(8-16-12)13(2,3)4/h5-7,11H,8H2,1-4H3/t11-/m1/s1
(5)Std. InChIKey: NHWBZSGKOQHPDW-LLVKDONJSA-N

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