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Home> Encyclopedia > Hot Product Listed P   > Pyridine,2-[(4S)-4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]-6-methyl-
199277-80-0 structure

Pyridine,2-[(4S)-4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]-6-methyl-

CAS No.:199277-80-0
Molecular Weight:218.29
Molecular Formula:C13H18 N2 O (isomer)
Names and Identifiers
Synonyms

(S)-2-[4-(1,1-Dimethylethyl)-4,5-dihydro-2-oxazolyl]-6-methylpyridine (S)-4-(tert-Butyl)-2-(6-methylpyridin-2-yl)-4,5-dihydrooxazole 2-[(4S)-4-(1,1-DIMETHYLETHYL)-4,5-DIHYDRO-2-OXAZOLYL]-6-METHYLPYRIDINE 2-[(4S)-4-(tert-Butyl)-4,5-dihydro-2-oxazolyl]-6-methylpyridine Pyridine,2-[4-(1,1-dimethylethyl)-4,5-dihydro-2-oxazolyl]-6-methyl-, (S)-

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
Properties
Density
1.07
Boiling Point
328.755°C at 760 mmHg
Vapour
0mmHg at 25°C
Refractive Index
1.551
Flash Point
152.626°C
HS Code
2934999090
Safety and Handling
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: 34.48?2; (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

MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

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