204401-84-3 Purity
96%
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Specification
The molecular formula is C33H76N2O12Si8.
The synonyms are 444315-16-6, PSS-(3-(2-AMINOETHYL)AMINO)PROPYL-HEPTA, and PSS-[3-(2-Aminoethyl)amino]propyl-Heptaisobutyl substituted N'-[3-[3,5,7,9,11,13,15-Heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.13,9.15,15.17,13]icosan-1-yl]propyl]ethane-1,2-diamine, and AC1NCUKU.
The molecular weight is 917.6 g/mol.
The IUPAC name is N'-[3-[3,5,7,9,11,13,15-heptakis(2-methylpropyl)-2,4,6,8,10,12,14,16,17,18,19,20-dodecaoxa-1,3,5,7,9,11,13,15-octasilapentacyclo[9.5.1.1 3,9 .1 5,15 .1 7,13 ]icosan-1-yl]propyl]ethane-1,2-diamine.
The InChI is InChI=1S/C33H76N2O12Si8/c1-27(2)20-49-36-48(19-15-17-35-18-16-34)37-50(21-28(3)4)41-52(39-49,23-30(7)8)45-55(26-33(13)14)46-53(40-49,24-31(9)10)42-51(38-48,22-29(5)6)44-54(43-50,47-55)25-32(11)12/h27-33,35H,15-26,34H2,1-14H3.
The CAS number is 444315-16-6.
The hydrogen bond donor count is 2.
The hydrogen bond acceptor count is 14.
The topological polar surface area is 149Ų.