Methyl N-(oxomethylene)-L-isoleucinate

Catalog No: FT-0695115

CAS No: 120219-17-2

Chemical Name: Methyl N-(oxomethylene)-L-isoleucinate
Molecular Formula: C8H13NO3
Molecular Weight: 171.19 g/mol
InChI Key: OLHBZFKROSWSCI-BQBZGAKWSA-N
InChI: InChI=1S/C8H13NO3/c1-4-6(2)7(9-5-10)8(11)12-3/h6-7H,4H2,1-3H3/t6-,7-/m0/s1

Product pricing and availability information
Assay	Pack Size	Price	Stock
98%	1g	N/A	N/A
98%	5g	N/A	N/A
98%	Bulk Quantity	N/A	N/A

Product_Name:	methyl (2S,3S)-2-isocyanato-3-methylpentanoate
Flash_Point:	68.7ºC
Melting_Point:	N/A
FW:	171.19400
Density:	1.04
CAS:	120219-17-2
Bolling_Point:	203.1ºC at 760 mmHg
MF:	C8H13NO3

LogP:	0.90990
Flash_Point:	68.7ºC
Refractive_Index:	1.459
FW:	171.19400
Density:	1.04
Bolling_Point:	203.1ºC at 760 mmHg
Computational_Chemistry:	['1. XlogP :28 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :5 ', '5. Isotope Atom Count :N/A ', '6. TPSA 557 ', '7. Heavy Atom Count :12 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :197 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :2 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
PSA:	55.73000
Exact_Mass:	171.09000
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,20℃）104 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,KPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（Pa,20ºC）Unknow ', '12 . Saturated vapor pressure（KPa,20ºC）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 Unknow']
Vapor_Pressure:	0.283mmHg at 25°C
MF:	C8H13NO3