BOC-D-3-BENZOTHIENYLALANINE

Catalog No: FT-0651681

CAS No: 111082-76-9

Chemical Name: BOC-D-3-BENZOTHIENYLALANINE
Molecular Formula: C16H19NO4S
Molecular Weight: 321.4 g/mol
InChI Key: MURVSBJYXHTRJQ-GFCCVEGCSA-N
InChI: InChI=1S/C16H19NO4S/c1-16(2,3)21-15(20)17-12(14(18)19)8-10-9-22-13-7-5-4-6-11(10)13/h4-7,9,12H,8H2,1-3H3,(H,17,20)(H,18,19)/t12-/m1/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:	Boc-D-3-Benzothienylalanine
Flash_Point:	264.7±28.7 °C
Melting_Point:	N/A
FW:	321.391
Density:	1.3±0.1 g/cm3
CAS:	111082-76-9
Bolling_Point:	514.1±45.0 °C at 760 mmHg
MF:	C16H19NO4S

Molecular_Structure:	['1. Molar refractive index 8668 ', '2. Molar volume 2522 ', '3. Parachor （902K）6765 ', '4. Surface tension 517 ', '5. Dielectric constant N/A ', '6. Polarizability 3436 ', '7. Single isotope mass 321103478 Da ', '8. Nominal mass 321 Da ', '9. Average mass 3213914 Da']
LogP:	5.13
Flash_Point:	264.7±28.7 °C
Refractive_Index:	1.603
FW:	321.391
Density:	1.3±0.1 g/cm3
Bolling_Point:	514.1±45.0 °C at 760 mmHg
Computational_Chemistry:	['1 . XlogP 35 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 6 ', '5 . Isotope Atom Count 2 ', '6 . TPSA 756 ', '7 . Heavy Atom Count 22 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 421 ', '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']
PSA:	103.87000
MF:	C16H19NO4S
More_Info:	['1 . Appearance 米色粉末 ', '2 . Density（g/mL,25℃）Unknow ', '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，08mmHg）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±1.4 mmHg at 25°C
Exact_Mass:	321.103485

Personal_Protective_Equipment:	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter
RIDADR:	NONH for all modes of transport
Hazard_Codes:	Xi: Irritant;
HS_Code:	2934999090