3-(Hydroxymethyl)-8a-methyl-2-phenylhexahydro-5H-[1,3]oxazolo[3,2-a]pyridin-5-one

Catalog No: FT-0684236

CAS No: 116950-01-7

Chemical Name: 3-(Hydroxymethyl)-8a-methyl-2-phenylhexahydro-5H-[1,3]oxazolo[3,2-a]pyridin-5-one
Molecular Formula: C15H19NO3
Molecular Weight: 261.32
InChI Key: HMPLCFQDHIGQMF-UHFFFAOYSA-N
InChI: InChI=1S/C15H19NO3/c1-15-9-5-8-13(18)16(15)12(10-17)14(19-15)11-6-3-2-4-7-11/h2-4,6-7,12,14,17H,5,8-10H2,1H3

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:	3-(Hydroxymethyl)-8a-methyl-2-phenylhexahydro-5H-[1,3]oxazolo[3,2-a]pyridin-5-one
Flash_Point:	225.6ºC
Melting_Point:	96-100ºC(lit.)
FW:	261.31600
Density:	1.24g/cm3
CAS:	116950-01-7
Bolling_Point:	449.5ºC at 760mmHg
MF:	C15H19NO3

Molecular_Structure:	['1. Molar refractive index 7157 ', '2. Molar volume 209 ', '3. Parachor （902K）5663 ', '4. Surface tension 538 ', '5. Dielectric constant N/A ', '6. Polarizability 2837 ', '7. Single isotope mass 261136493 Da ', '8. Nominal mass 261 Da ', '9. Average mass 2613163 Da']
Flash_Point:	225.6ºC
Refractive_Index:	1.6
FW:	261.31600
Density:	1.24g/cm3
Bolling_Point:	449.5ºC at 760mmHg
Computational_Chemistry:	['1 . XlogP 1 ', '2 . Hydrogen Bond Donor Count 1 ', '3 . Hydrogen Bond Acceptor Count 3 ', '4 . Rotatable Bond Count 2 ', '5 . Isotope Atom Count ', '6 . TPSA 498 ', '7 . Heavy Atom Count 19 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 353 ', '10. Isotope Atom Count 0 ', '11. Defined Atom Stereocenter Count 3 ', '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:	1.78540
Melting_Point:	96-100ºC(lit.)
PSA:	49.77000
MF:	C15H19NO3
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25ºC）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）96-100 ', '5 . Boiling point（ºC）Unknow ', '6 . Boiling point（ºC，50mmHg）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（°C）Unknow ', '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']
Vapor_Pressure:	7.26E-09mmHg at 25°C
Exact_Mass:	261.13600