183969-60-0
PYRILAMINE TANNATE
FormulaC18 H20 N2 O6 . C17 H23 N3 O
1Identification
【Name】
PYRILAMINE TANNATE
【CAS】
【MDL】
MFCD00273384
【English Synonyms】
【Formula】
C18 H20 N2 O6 . C17 H23 N3 O
【MolWeight】
645.753
【Inchi】
InChI=1S/C18H20N2O6.C17H23N3O/c1-23-13-5-11(6-14(24-2)17(13)21)9-19-20-10-12-7-15(25-3)18(22)16(8-12)26-4;1-19(2)12-13-20(17-6-4-5-11-18-17)14-15-7-9-16(21-3)10-8-15/h5-10,21-22H,1-4H3;4-11H,12-14H2,1-3H3/b19-9+,20-10+;
【InChIKey】
InChIKey=URIKIZMFTSXHCD-HCURTGQUSA-N
【SMILES】
CN(C)CCN(Cc1ccc(cc1)OC)c2ccccn2.COc1cc(cc(c1O)OC)/C=N/N=C/c2cc(c(c(c2)OC)O)OC
【MOL File】
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:8
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
PYRILAMINE TANNATE.cml