960305-55-9
TERT-BUTYL 7-(HYDROXYMETHYL)-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE
NameTERT-BUTYL 7-(HYDROXYMETHYL)-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE
1Identification
【Name】
TERT-BUTYL 7-(HYDROXYMETHYL)-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE
【CAS】
【MDL】
MFCD12408146
【English Synonyms】
【Formula】
C15 H21 N O3
【MolWeight】
263.335
【Inchi】
InChI=1S/C15H21NO3/c1-15(2,3)19-14(18)16-7-6-12-5-4-11(10-17)8-13(12)9-16/h4-5,8,17H,6-7,9-10H2,1-3H3
【InChIKey】
InChIKey=CIBOPYLOTAXPDB-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCc2ccc(cc2C1)CO
【MOL File】
TERT-BUTYL 7-(HYDROX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:2.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
TERT-BUTYL 7-(HYDROXYMETHYL)-3,4-DIHYDROISOQUINOLINE-2(1H)-CARBOXYLATE.cml