168824-94-0
1,3,4,9-TETRAHYDRO-B-CARBOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
Name1,3,4,9-TETRAHYDRO-B-CARBOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
1Identification
【Name】
1,3,4,9-TETRAHYDRO-B-CARBOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER
【CAS】
【MDL】
MFCD09029520
【English Synonyms】
【Formula】
C16 H20 N2 O2
【MolWeight】
272.346
【Inchi】
InChI=1S/C16H20N2O2/c1-16(2,3)20-15(19)18-9-8-12-11-6-4-5-7-13(11)17-14(12)10-18/h4-7,17H,8-10H2,1-3H3
【InChIKey】
InChIKey=GFJCZDJPSXKGSF-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCc2c3ccccc3[nH]c2C1
【MOL File】
1,3,4,9-TETRAHYDRO-B….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
1,3,4,9-TETRAHYDRO-B-CARBOLINE-2-CARBOXYLIC ACID TERT-BUTYL ESTER.cml