145038-06-8
1-BUTYL-2,3,3-TRIMETHYLBENZ[E]INDOLIUM PERCHLORATE
Name1-BUTYL-2,3,3-TRIMETHYLBENZ[E]INDOLIUM PERCHLORATE
1Identification
【Name】
1-BUTYL-2,3,3-TRIMETHYLBENZ[E]INDOLIUM PERCHLORATE
【CAS】
【MDL】
MFCD00541256
【English Synonyms】
【Formula】
C19 H24 N . Cl O4
【MolWeight】
365.855
【Inchi】
InChI=1S/C19H24N.ClHO4/c1-5-6-13-20-14(2)19(3,4)18-16-10-8-7-9-15(16)11-12-17(18)20;2-1(3,4)5/h7-12H,5-6,13H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
【InChIKey】
InChIKey=YTMRSSZHHKYXRZ-UHFFFAOYSA-M
【SMILES】
CCCC[N+]1=C(C(c2c1ccc3c2cccc3)(C)C)C.[O-]Cl(=O)(=O)=O
【MOL File】
1-BUTYL-2,3,3-TRIMET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:1
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-BUTYL-2,3,3-TRIMETHYLBENZ[E]INDOLIUM PERCHLORATE.cml