135732-01-3
N,N-(BETA-CHLOROETHYL-BETA-CYANOETHYL)AMIDOPHOSPHORYLDIBENZO-17-CROWN-6
NameN,N-(BETA-CHLOROETHYL-BETA-CYANOETHYL)AMIDOPHOSPHORYLDIBENZO-17-CROWN-6
FormulaC23 H28 Cl N2 O7 P
1Identification
【Name】
N,N-(BETA-CHLOROETHYL-BETA-CYANOETHYL)AMIDOPHOSPHORYLDIBENZO-17-CROWN-6
【CAS】
【MDL】
MFCD01697704
【English Synonyms】
【Formula】
C23 H28 Cl N2 O7 P
【MolWeight】
510.908
【Inchi】
InChI=1S/C23H28ClN2O7P/c24-10-13-26(12-5-11-25)34(27)32-22-8-3-1-6-20(22)30-18-16-28-14-15-29-17-19-31-21-7-2-4-9-23(21)33-34/h1-4,6-9H,5,10,12-19H2
【InChIKey】
InChIKey=SXNIIUHIPKJVSJ-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)OCCOCCOCCOc3ccccc3OP(=O)(O2)N(CCC#N)CCCl
【MOL File】
N,N-(BETA-CHLOROETHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:9
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
N,N-(BETA-CHLOROETHYL-BETA-CYANOETHYL)AMIDOPHOSPHORYLDIBENZO-17-CROWN-6.cml