Chemical Name: PAXILLINE
Molecular Formula: C27H33NO4
Molecular Weight: 435.6
InChI Key: ACNHBCIZLNNLRS-UBGQALKQSA-N
InChI: InChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/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

Symbol:	Danger
FW:	435.555
Density:	1.3±0.1 g/cm3
CAS:	57186-25-1
Bolling_Point:	648.8±55.0 °C at 760 mmHg
Product_Name:	Paxilline
Melting_Point:	252ºC
Flash_Point:	346.2±31.5 °C
MF:	C27H33NO4

Molecular_Structure:	['1 . Molar refractive index 12261 ', '2 . Molar volume （m3/mol）3317 ', '3 . Parachor （902K）9339 ', '4 . Surface tension 628 ', '5 . Polarizability （10 -24cm 3）4860']
Flash_Point:	346.2±31.5 °C
Refractive_Index:	1.661
FW:	435.555
Density:	1.3±0.1 g/cm3
Bolling_Point:	648.8±55.0 °C at 760 mmHg
Computational_Chemistry:	['1 . XlogP 35 ', '2 . Hydrogen Bond Donor Count 3 ', '3 . Hydrogen Bond Acceptor Count 4 ', '4 . Rotatable Bond Count 1 ', '5 . TPSA 826 ', '6 . Heavy Atom Count 32 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 868 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 6 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
LogP:	3.77
Melting_Point:	252ºC
PSA:	82.55000
MF:	C27H33NO4
More_Info:	['1 . Appearance 淡Yellow 粉末 ', '2 . Density（g/mL,25/4℃）无可用 ', '3 . Relative vapor density（g/mL,Atmosphere =1）无可用 ', '4 . Melting point（ºC）无可用 ', '5 . Boiling point（ºC,Atmospheric pressure）无可用 ', '6 . Boiling point（ºC,52kPa）无可用 ', '7 . Refractive index无可用 ', '8 . Flash point（ºC）无可用 ', '9 . Specific rotation（º）无可用 ', '10 . Spontaneous ignition point or ignition temperature（ºC）无可用 ', '11 . Vapor pressure（kPa,25ºC）无可用 ', '12 . Saturated vapor pressure（kPa,60ºC）无可用 ', '13 . Combustion heat（KJ/mol）无可用 ', '14 . Critical temperature（ºC）无可用 ', '15 . Critical pressure（KPa）无可用 ', '16 . Oil-water（Octanol /Water ）Logarithmic Value of Distribution Coefficient 无可用 ', '17 . Upper limit of explosion（%,V/V）无可用 ', '18 . Lower limit of explosion（%,V/V）无可用 ', '19 . Solubility 无可用']
Vapor_Pressure:	0.0±2.0 mmHg at 25°C
Exact_Mass:	435.240967

Hazard_Codes:	T: Toxic;
Symbol:	Danger
Packing_Group:	III
Hazard_Class:	6.1(b)
Warning_Statement:	P261-P280-P301 + P310-P305 + P351 + P338-P311
Personal_Protective_Equipment:	Eyeshields;Faceshields;Gloves;type P2 (EN 143) respirator cartridges
RTECS:	DJ2830000
Risk_Statements(EU):	R23/24/25
Safety_Statements:	26-36/37/39-45
RIDADR:	UN 2811 6