93842-79-6
PHOSPHONIC ACID,[[3,6,9,12-TETRAKIS(PHOSPHONOMETHYL)-3,6,9,12-TETRAAZATETRADECANE-1,14-DIYL]BIS[NITRILOBIS(METHYLENE)]]TETRAKIS-,HEXADECAAMMONIUM SALT
NamePHOSPHONIC ACID,[[3,6,9,12-TETRAKIS(PHOSPHONOMETHYL)-3,6,9,12-TETRAAZATETRADECANE-1,14-DIYL]BIS[NITRILOBIS(METHYLENE)]]TETRAKIS-,HEXADECAAMMONIUM SALT
FormulaC18 H52 N6 O24 P8 . 16 H3 N
1Identification
【Name】
PHOSPHONIC ACID,[[3,6,9,12-TETRAKIS(PHOSPHONOMETHYL)-3,6,9,12-TETRAAZATETRADECANE-1,14-DIYL]BIS[NITRILOBIS(METHYLENE)]]TETRAKIS-,HEXADECAAMMONIUM SALT
【CAS】
【MDL】
MFCD21608163
【English Synonyms】
【Formula】
C18 H52 N6 O24 P8 . 16 H3 N
【MolWeight】
1256.91
【Inchi】
InChI=1S/C18H52N6O24P8.16H3N/c25-49(26,27)11-19(3-5-21(13-51(31,32)33)7-9-23(15-53(37,38)39)16-54(40,41)42)1-2-20(12-50(28,29)30)4-6-22(14-52(34,35)36)8-10-24(17-55(43,44)45)18-56(46,47)48;;;;;;;;;;;;;;;;/h1-18H2,(H2,25,26,27)(H2,28,29,30)(H2,31,32,33)(H2,34,35,36)(H2,37,38,39)(H2,40,41,42)(H2,43,44,45)(H2,46,47,48);16*1H3
【InChIKey】
InChIKey=JLVYNZFXTOYJSQ-UHFFFAOYSA-N
【SMILES】
C(CN(CCN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)N(CCN(CCN(CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O)CP(=O)(O)O.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N.N
【MOL File】
PHOSPHONIC ACID,[[3,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:16
H bond acceptor:30
XLogP3:-13.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PHOSPHONIC ACID,[[3,6,9,12-TETRAKIS(PHOSPHONOMETHYL)-3,6,9,12-TETRAAZATETRADECANE-1,14-DIYL]BIS[NITRILOBIS(METHYLENE)]]TETRAKIS-,HEXADECAAMMONIUM SALT.cml