Chemical Name: ANTIPAIN,DIHYDROCHLORIDE
Molecular Formula: C27H46Cl2N10O6
Molecular Weight: 677.6
InChI Key: GXQPAKIVOCLCHD-BXLPLHKWSA-N
InChI: InChI=1S/C27H44N10O6.2ClH/c1-16(2)21(34-18(15-38)10-6-12-32-25(28)29)23(40)37-22(39)19(11-7-13-33-26(30)31)35-27(43)36-20(24(41)42)14-17-8-4-3-5-9-17;;/h3-5,8-9,15-16,18-21,34H,6-7,10-14H2,1-2H3,(H,41,42)(H4,28,29,32)(H4,30,31,33)(H2,35,36,43)(H,37,39,40);2*1H/t18?,19-,20?,21-;;/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

Bolling_Point:	N/A
MF:	C27H46Cl2N10O6
Density:	N/A
FW:	677.623
Product_Name:	Antipain dihydrochloride
CAS:	37682-72-7
Flash_Point:	N/A
Melting_Point:	N/A

Exact_Mass:	676.297913
MF:	C27H46Cl2N10O6
FW:	677.623
More_Info:	['1 . Appearance White 无定形粉末。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）170-177(分解) ', '5 . Boiling point（ºC,Atmospheric pressure）Unknow ', '6 . Boiling point（ºC,52kPa）Unknow ', '7 . Refractive indexUnknow ', '8 . Flash point（ºC）Unknow ', '9 . Specific rotation（º, C＝1，Water 中）－100 ', '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 Soluble in Water 甲醇and 二甲亚砜，微Soluble in Ethanol ，Insoluble in 苯己烷石油醚 Ethyl ether and 氯仿。']
PSA:	277.50000
LogP:	4.25060
Computational_Chemistry:	['1 . XlogP 未确定 ', '2 . Hydrogen Bond Donor Count 10 ', '3 . Hydrogen Bond Acceptor Count 12 ', '4 . Rotatable Bond Count 19 ', '5 . TPSA 283 ', '6 . Heavy Atom Count 44 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 975 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 0 ', '11 . Undefined Atom Stereocenter Count 4 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 2']

RTECS:	YV9350800
Safety_Statements:	22-24/25
RIDADR:	NONH for all modes of transport
Personal_Protective_Equipment:	Eyeshields;Gloves;type N95 (US);type P1 (EN143) respirator filter