Chemical Name: N-ALPHA-BENZOYL-L-HISTIDINE
Molecular Formula: C13H13N3O3
Molecular Weight: 259.26
InChI Key: AUDPUFBIVWMAED-NSHDSACASA-N
InChI: InChI=1S/C13H13N3O3/c17-12(9-4-2-1-3-5-9)16-11(13(18)19)6-10-7-14-8-15-10/h1-5,7-8,11H,6H2,(H,14,15)(H,16,17)(H,18,19)/t11-/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:	N-Benzoylhistidine
Flash_Point:	354.3±30.1 °C
Melting_Point:	N/A
FW:	259.261
Density:	1.4±0.1 g/cm3
CAS:	5354-94-9
Bolling_Point:	662.3±50.0 °C at 760 mmHg
MF:	C13H13N3O3

Molecular_Structure:	['分子性质数据 ', '1 . Molar refractive index 6767 ', '2 . Molar volume （m3/mol）1900 ', '3 . Parachor （902K）5450 ', '4 . Surface tension 676 ', '5 . Polarizability （10 -24cm 3）2682']
LogP:	-0.04
Flash_Point:	354.3±30.1 °C
Refractive_Index:	1.631
FW:	259.261
Density:	1.4±0.1 g/cm3
Bolling_Point:	662.3±50.0 °C at 760 mmHg
Computational_Chemistry:	['1 . XlogP -14 ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 5 ', '4 . Rotatable Bond Count 5 ', '5 . Isotope Atom Count 4 ', '6 . TPSA 951 ', '7 . Heavy Atom Count 19 ', '8 . Topological Polar Surface Area 0 ', '9 . Complexity 329 ', '10 . Isotope Atom Count 0 ', '11 . Defined Atom Stereocenter Count 0 ', '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:	95.08000
MF:	C13H13N3O3
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/mL,25/4℃）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,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（℃）Unknow ', '9 . Specific rotation（º）-47 ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（kPa,25ºC）Unknow ', '12 . Saturated vapor pressure（kPa,60ºC）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±2.1 mmHg at 25°C
Exact_Mass:	259.095703