77140-98-8
7-(2-METHYLPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
Name7-(2-METHYLPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
1Identification
【Name】
7-(2-METHYLPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09998907
【English Synonyms】
【Formula】
C14 H19 N O2
【MolWeight】
233.309
【Inchi】
InChI=1S/C14H19NO2/c1-9(2)5-10-3-4-11-7-13(14(16)17)15-8-12(11)6-10/h3-4,6,9,13,15H,5,7-8H2,1-2H3,(H,16,17)
【InChIKey】
InChIKey=ZFMPCXNTEXPXDR-UHFFFAOYSA-N
【SMILES】
CC(C)Cc1ccc2c(c1)CNC(C2)C(=O)O
【MOL File】
7-(2-METHYLPROPYL)-1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:3
XLogP3:1.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
7-(2-METHYLPROPYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID.cml