545394-19-2
2-BOC-7-(TERT-BUTYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
Name2-BOC-7-(TERT-BUTYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
1Identification
【Name】
2-BOC-7-(TERT-BUTYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09998902
【English Synonyms】
【Formula】
C19 H27 N O4
【MolWeight】
333.425
【Inchi】
InChI=1S/C19H27NO4/c1-18(2,3)14-8-7-12-10-15(16(21)22)20(11-13(12)9-14)17(23)24-19(4,5)6/h7-9,15H,10-11H2,1-6H3,(H,21,22)
【InChIKey】
InChIKey=DLMAFNORZMHGIW-UHFFFAOYSA-N
【SMILES】
CC(C)(C)c1ccc2c(c1)CN(C(C2)C(=O)O)C(=O)OC(C)(C)C
【MOL File】
2-BOC-7-(TERT-BUTYL)….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
2-BOC-7-(TERT-BUTYL)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID.cml