39731-05-0
4-[3-[(1,1-DIMETHYLETHYL)AMINO]-2-HYDROXYPROPOXY]-1H-INDOLE-2-CARBOXYLIC ACID, 1-METHYLETHYL ESTER
Name4-[3-[(1,1-DIMETHYLETHYL)AMINO]-2-HYDROXYPROPOXY]-1H-INDOLE-2-CARBOXYLIC ACID, 1-METHYLETHYL ESTER
1Identification
【Name】
4-[3-[(1,1-DIMETHYLETHYL)AMINO]-2-HYDROXYPROPOXY]-1H-INDOLE-2-CARBOXYLIC ACID, 1-METHYLETHYL ESTER
【CAS】
【MDL】
MFCD00869100
【English Synonyms】
【Formula】
C19 H28 N2 O4
【MolWeight】
348.44
【Inchi】
InChI=1S/C19H28N2O4/c1-12(2)25-18(23)16-9-14-15(21-16)7-6-8-17(14)24-11-13(22)10-20-19(3,4)5/h6-9,12-13,20-22H,10-11H2,1-5H3
【InChIKey】
InChIKey=SJYFDORQYYEJLB-UHFFFAOYSA-N
【SMILES】
CC(C)OC(=O)c1cc2c([nH]1)cccc2OCC(CNC(C)(C)C)O
【MOL File】
4-[3-[(1,1-DIMETHYLE….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:3
H bond acceptor:6
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-[3-[(1,1-DIMETHYLETHYL)AMINO]-2-HYDROXYPROPOXY]-1H-INDOLE-2-CARBOXYLIC ACID, 1-METHYLETHYL ESTER.cml