253267-38-8
N,N,NTETRAKIS[4-BIS(3-CYANOPROPYL)AMINOPHENYL]-P-PHENYLENEDIAMINIUM HEXAFLUOROPHOSPHATE
NameN,N,NTETRAKIS[4-BIS(3-CYANOPROPYL)AMINOPHENYL]-P-PHENYLENEDIAMINIUM HEXAFLUOROPHOSPHATE
pro_formulaC62 H69 N14 . F6 P
1Identification
【Name】
N,N,NTETRAKIS[4-BIS(3-CYANOPROPYL)AMINOPHENYL]-P-PHENYLENEDIAMINIUM HEXAFLUOROPHOSPHATE
【CAS】
【MDL】
MFCD09752918
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C62 H69 N14 . F6 P
【pro_molWeight】
1155.29
【Inchi】
InChI=1S/C62H68N14.F6P/c63-37-1-9-45-71(46-10-2-38-64)53-17-25-57(26-18-53)75(58-27-19-54(20-28-58)72(47-11-3-39-65)48-12-4-40-66)61-33-35-62(36-34-61)76(59-29-21-55(22-30-59)73(49-13-5-41-67)50-14-6-42-68)60-31-23-56(24-32-60)74(51-15-7-43-69)52-16-8-44-70;1-7(2,3,4,5)6/h17-36H,1-16,45-52H2;/q;-1/p+1
【InChIKey】
InChIKey=IPZUFSUTIMZWQK-UHFFFAOYSA-O
【SMILES】
c1cc(ccc1[NH+](c2ccc(cc2)N(CCCC#N)CCCC#N)c3ccc(cc3)N(c4ccc(cc4)N(CCCC#N)CCCC#N)c5ccc(cc5)N(CCCC#N)CCCC#N)N(CCCC#N)CCCC#N.F[P-](F)(F)(F)(F)F
【MOL File】
N,N,NTETRAKIS[4-BIS(….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:14
XLogP3:5.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
N,N,NTETRAKIS[4-BIS(3-CYANOPROPYL)AMINOPHENYL]-P-PHENYLENEDIAMINIUM HEXAFLUOROPHOSPHATE.cml