FT-0610156 CAS:517-22-6 chemical structure

2,4-Dimethyl-3-ethyl-1H-pyrrole

Catalog No: FT-0610156

CAS No: 517-22-6

Molecular Formula: 123.2
Formula Weight: C8H13N
Inchl Key: ZEBBLOXDLGIMEG-UHFFFAOYSA-N
Inchl: InChI=1S/C8H13N/c1-4-8-6(2)5-9-7(8)3/h5,9H,4H2,1-3H3

Assay	Pack	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Melting_Point:	N/A
CAS:	517-22-6
MF:	C8H13N
Flash_Point:	161 °F
Product_Name:	2,4-Dimethyl-3-ethyl-1H-pyrrole
Density:	0.913 g/mL at 25 °C(lit.)
FW:	123.19600
Bolling_Point:	197 °C710 mm Hg(lit.)

Refractive_Index:	n20/D 1.496(lit.)
Flash_Point:	161 °F
LogP:	2.19390
Bolling_Point:	197 °C710 mm Hg(lit.)
FW:	123.19600
PSA:	15.79000
Computational_Chemistry:	['1. XlogP :23 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :0 ', '4. Rotatable Bond Count :1 ', '5. Isotope Atom Count :N/A ', '6. TPSA 158 ', '7. Heavy Atom Count :9 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :906 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :0 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
MF:	C8H13N
Exact_Mass:	123.10500
Molecular_Structure:	['1 . Molar refractive index 3988 ', '2 . Molar volume （m3/mol）1331 ', '3 . Parachor （902K）3187 ', '4 . Surface tension 328 ', '5 . Polarizability （10 -24cm 3）1581']
Density:	0.913 g/mL at 25 °C(lit.)
More_Info:	['1 . Appearance Yellow Liquid ', '2 . Density（g/ cm3,25/4℃）0926 ', '3 . Relative vapor density（g/cm3,Atmosphere =1）425 ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）197 ', '6 . Boiling point（ºC,8kPa）Unknow ', '7 . Refractive index15147 ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）Unknow ', '13 . Combustion heat（KJ/mol）Unknow ', '14 . Critical temperature（ºC）Unknow ', '15 . Critical pressure（KPa）Unknow ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient Unknow ', '17 . Upper limit of explosion（%,V/V）Unknow ', '18 . Lower limit of explosion（%,V/V）Unknow ', '19 . Solubility 微Soluble in Water ']