Molecular Formula: 447.5
Formula Weight: C23H29NO8
Inchl Key: ZZYHCCDMBJTROG-UHFFFAOYSA-N
Inchl: InChI=1S/C17H21NO.C6H8O7/c1-18(2)12-13-19-17-11-7-6-10-16(17)14-15-8-4-3-5-9-15;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-11H,12-14H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)

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

Symbol:	Warning
FW:	447.47800
Density:	N/A
CAS:	1176-08-5
Bolling_Point:	359.2ºC at 760 mmHg
Product_Name:	2-(2-Benzylphenoxy)-N,N-dimethylethanamine 2-hydroxypropane-1,2,3-tricarboxylate
Melting_Point:	188-190 °C(lit.)
Flash_Point:	106ºC
MF:	C23H29NO8

Molecular_Structure:	['1. Molar refractive index N/A ', '2. Molar volume N/A ', '3. Parachor （902K）N/A ', '4. Surface tension N/A ', '5. Dielectric constant N/A ', '6. Polarizability N/A ', '7. Single isotope mass 447189317 Da ', '8. Nominal mass 447 Da ', '9. Average mass 4474783 Da']
LogP:	1.96930
Flash_Point:	106ºC
FW:	447.47800
Bolling_Point:	359.2ºC at 760 mmHg
Computational_Chemistry:	['1. XlogP :N/A ', '2. Hydrogen Bond Donor Count :4 ', '3. Hydrogen Bond Acceptor Count :9 ', '4. Rotatable Bond Count :11 ', '5. Isotope Atom Count :N/A ', '6. TPSA 145 ', '7. Heavy Atom Count :32 ', '8. Topological Polar Surface Area :0 ', '9. Complexity :463 ', '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 :2']
Melting_Point:	188-190 °C(lit.)
PSA:	144.60000
MF:	C23H29NO8
More_Info:	['1 . Appearance Unknow ', '2 . Density（g/cm3,25℃）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,05mmHg）Unknow ', '7 . Refractive index(°)Unknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º)）Unknow ', '10 . Spontaneous ignition point or ignition temperature（ºC）Unknow ', '11 . Vapor pressure（mmHg,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:	2.42E-05mmHg at 25°C
Exact_Mass:	447.18900

Personal_Protective_Equipment:	dust mask type N95 (US);Eyeshields;Gloves
RTECS:	KR6650000
Risk_Statements(EU):	R22
Safety_Statements:	S36
Symbol:	Warning
Warning_Statement:	P301 + P312 + P330
RIDADR:	NONH for all modes of transport
Hazard_Codes:	Xn
HS_Code:	2922509090