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benzyl N-[2-[(2S)-2-[(4-methyl-2-oxochromen-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate

Catalog No: FT-0771375

CAS No: 68542-93-8

Chemical Name: benzyl N-[2-[(2S)-2-[(4-methyl-2-oxochromen-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
Molecular Formula: C25H25N3O6
Molecular Weight: 463.5
InChI Key: YWOXKKRKNGWXEG-FQEVSTJZSA-N
InChI: InChI=1S/C25H25N3O6/c1-16-12-23(30)34-21-13-18(9-10-19(16)21)27-24(31)20-8-5-11-28(20)22(29)14-26-25(32)33-15-17-6-3-2-4-7-17/h2-4,6-7,9-10,12-13,20H,5,8,11,14-15H2,1H3,(H,26,32)(H,27,31)/t20-/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:	770.8ºC at 760 mmHg
CAS:	68542-93-8
MF:	C25H25N3O6
Density:	1.358g/cm3
Melting_Point:	96-102ºC(lit.)
Product_Name:	benzyl N-[2-[(2S)-2-[(4-methyl-2-oxochromen-7-yl)carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
Flash_Point:	420ºC
FW:	463.48300

MF:	C25H25N3O6
Density:	1.358g/cm3
Computational_Chemistry:	['1 . XlogP 23 ', '2 . Hydrogen Bond Donor Count 2 ', '3 . Hydrogen Bond Acceptor Count 6 ', '4 . Rotatable Bond Count 7 ', '5 . TPSA 114 ', '6 . Heavy Atom Count 34 ', '7 . Topological Polar Surface Area 0 ', '8 . Complexity 822 ', '9 . Isotope Atom Count 0 ', '10 . Defined Atom Stereocenter Count 1 ', '11 . Undefined Atom Stereocenter Count 0 ', '12 . Defined Bond Stereocenter Count 0 ', '13 . Undefined Bond Stereocenter Count 0 ', '14 . Covalently-Bonded Unit Count 1']
More_Info:	['1 . Appearance 浅Yellow 粉末。 ', '2 . Density（g/mL,25/4℃）Unknow ', '3 . Relative vapor density（g/mL,Atmosphere =1）Unknow ', '4 . Melting point（ºC）96-102 ', '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）Unknow ', '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 。']
Exact_Mass:	463.17400
Flash_Point:	420ºC
PSA:	117.95000
Molecular_Structure:	['1 . Molar refractive index 12231 ', '2 . Molar volume （m3/mol）3412 ', '3 . Parachor （902K）9618 ', '4 . Surface tension 630 ', '5 . Polarizability （10 -24cm 3）4848']
LogP:	3.35910
Bolling_Point:	770.8ºC at 760 mmHg
FW:	463.48300
Refractive_Index:	1.635
Melting_Point:	96-102ºC(lit.)