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tert-butyl (2S)-2-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate

Catalog No: FT-0773335

CAS No: 115186-37-3

Chemical Name: tert-butyl (2S)-2-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate
Molecular Formula: C12H22N2O4
Molecular Weight: 258.31
InChI Key: KPVRHJIGNMLCHG-VIFPVBQESA-N
InChI: InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-8-6-7-9(14)10(15)13(4)17-5/h9H,6-8H2,1-5H3/t9-/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

Bolling_Point:	326.2±52.0 °C at 760 mmHg
CAS:	115186-37-3
MF:	C12H22N2O4
Density:	1.1±0.1 g/cm3
Melting_Point:	N/A
Product_Name:	tert-butyl (2S)-2-[methoxy(methyl)carbamoyl]pyrrolidine-1-carboxylate
Flash_Point:	151.1±30.7 °C
FW:	258.314

MF:	C12H22N2O4
Density:	1.1±0.1 g/cm3
Computational_Chemistry:	['1. XlogP :12 ', '2. Hydrogen Bond Donor Count :0 ', '3. Hydrogen Bond Acceptor Count :4 ', '4. Rotatable Bond Count :4 ', '5. Isotope Atom Count :N/A ', '6. TPSA 591 ', '7. Heavy Atom Count :18 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :325 ', '10. Isotope Atom Count :0 ', '11. Defined Atom Stereocenter Count :1 ', '12. Undefined Atom Stereocenter Count :0 ', '13. Defined Bond Stereocenter Count :0 ', '14. Undefined Bond Stereocenter Count :0 ', '15. Covalently-Bonded Unit Count :1']
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25ºC）1059 ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）Unknow ', '5 . Boiling point（ºC）253 ', '6 . Boiling point（ºC，19mmHg）Unknow ', '7 . Refractive indexn20/D 1471(lit) ', '8 . Flash point（°C）113 ', '9 . Specific rotation（ºF）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,110ºC）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']
Exact_Mass:	258.157959
Vapor_Pressure:	0.0±0.7 mmHg at 25°C
Flash_Point:	151.1±30.7 °C
PSA:	59.08000
Molecular_Structure:	['1. Molar refractive index 6613 ', '2. Molar volume 2283 ', '3. Parachor （902K）579 ', '4. Surface tension 413 ', '5. Dielectric constant N/A ', '6. Polarizability 2621 ', '7. Single isotope mass 258157957 Da ', '8. Nominal mass 258 Da ', '9. Average mass 2583141 Da']
LogP:	0.53
Bolling_Point:	326.2±52.0 °C at 760 mmHg
FW:	258.314
Refractive_Index:	1.491