939793-31-4
1-BENZYLAMINO-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-HEPTADECAFLUORO-UNDECAN-2-OL
Name1-BENZYLAMINO-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-HEPTADECAFLUORO-UNDECAN-2-OL
1Identification
【Name】
1-BENZYLAMINO-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-HEPTADECAFLUORO-UNDECAN-2-OL
【CAS】
【MDL】
MFCD09260636
【English Synonyms】
1-BENZYLAMINO-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-HEPTADECAFLUORO-UNDECAN-2-OL
【Formula】
C18 H16 F17 N O
【MolWeight】
585.296
【Inchi】
InChI=1S/C18H16F17NO/c1-3-4-5-9(2)7-36-8-10(37)6-11(19,20)12(21,22)13(23,24)14(25,26)15(27,28)16(29,30)17(31,32)18(33,34)35/h3-5,10,36-37H,1-2,6-8H2/b5-4+
【InChIKey】
InChIKey=XSXAQTYIBMRLER-SNAWJCMRSA-N
【SMILES】
C=C/C=C/C(=C)CNCC(CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)O
【MOL File】
1-BENZYLAMINO-4,4,5,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:2
XLogP3:9.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-BENZYLAMINO-4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-HEPTADECAFLUORO-UNDECAN-2-OL.cml