77941-17-4
1-(DELTA-DIMETHYLAMINOBUTYL)-2-METHOXYCARBONYL-3-METHOXY-INDOL-TOLUOL-4-SULFONAT [GERMAN]
Name1-(DELTA-DIMETHYLAMINOBUTYL)-2-METHOXYCARBONYL-3-METHOXY-INDOL-TOLUOL-4-SULFONAT [GERMAN]
FormulaC17 H24 N2 O3 . C7 H8 O3 S
1Identification
【Name】
1-(DELTA-DIMETHYLAMINOBUTYL)-2-METHOXYCARBONYL-3-METHOXY-INDOL-TOLUOL-4-SULFONAT [GERMAN]
【CAS】
【MDL】
MFCD01754071
【English Synonyms】
【Formula】
C17 H24 N2 O3 . C7 H8 O3 S
【MolWeight】
476.591
【Inchi】
InChI=1S/C17H24N2O3.C7H8O3S/c1-18(2)11-7-8-12-19-14-10-6-5-9-13(14)16(21-3)15(19)17(20)22-4;1-6-2-4-7(5-3-6)11(8,9)10/h5-6,9-10H,7-8,11-12H2,1-4H3;2-5H,1H3,(H,8,9,10)
【InChIKey】
InChIKey=KJJRZIXCVBMGHN-UHFFFAOYSA-N
【SMILES】
Cc1ccc(cc1)S(=O)(=O)O.CN(C)CCCCn1c2ccccc2c(c1C(=O)OC)OC
【MOL File】
1-(DELTA-DIMETHYLAMI….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(DELTA-DIMETHYLAMINOBUTYL)-2-METHOXYCARBONYL-3-METHOXY-INDOL-TOLUOL-4-SULFONAT [GERMAN].cml