FT-0601648 CAS:113451-59-5 chemical structure

(1s,4s)-tert-butyl 2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylate

Name: (1s,4s)-tert-butyl 2,5-diaza-bicyclo[2.2.1]heptane-2-carboxylate
Rating: 4.5 (11 reviews)

Catalog No: FT-0601648

CAS No: 113451-59-5

Molecular Formula: 198.26
Formula Weight: C10H18N2O2
Inchl Key: UXAWXZDXVOYLII-YUMQZZPRSA-N
Inchl: InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-6-7-4-8(12)5-11-7/h7-8,11H,4-6H2,1-3H3/t7-,8-/m0/s1

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

Product_Name:	tert-Butyl (1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-carboxylate
Flash_Point:	120.9±20.4 °C
Melting_Point:	74-76 °C(lit.)
FW:	198.262
Density:	1.1±0.1 g/cm3
CAS:	113451-59-5
Bolling_Point:	276.4±15.0 °C at 760 mmHg
MF:	C10H18N2O2

Molecular_Structure:	['1. Molar refractive index 5284 ', '2. Molar volume 1794 ', '3. Parachor （902K）4437 ', '4. Surface tension 373 ', '5. Dielectric constant N/A ', '6. Polarizability 2094 ', '7. Single isotope mass 198136828 Da ', '8. Nominal mass 198 Da ', '9. Average mass 1982621 Da']
Flash_Point:	120.9±20.4 °C
Refractive_Index:	1.501
FW:	198.262
Density:	1.1±0.1 g/cm3
Bolling_Point:	276.4±15.0 °C at 760 mmHg
Computational_Chemistry:	['1. XlogP :07 ', '2. Hydrogen Bond Donor Count :1 ', '3. Hydrogen Bond Acceptor Count :3 ', '4. Rotatable Bond Count :2 ', '5. Isotope Atom Count :N/A ', '6. TPSA 416 ', '7. Heavy Atom Count :14 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :247 ', '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']
LogP:	0.41
Melting_Point:	74-76 °C(lit.)
PSA:	41.57000
MF:	C10H18N2O2
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）74-76 ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC，02mmHg）Unknow ', '7 . Refractive index(n20/D)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,20ºC）Unknow ', '12 . Saturated vapor pressure（kPa,25ºC）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:	0.0±0.6 mmHg at 25°C
Exact_Mass:	198.136826