583025-98-3
3H-3-BENZAZEPINE-3-CARBOXYLIC ACID, 7-AMINO-1,2,4,5-TETRAHYDRO-8-METHOXY-, 1,1-DIMETHYLETHYL ESTER
Name3H-3-BENZAZEPINE-3-CARBOXYLIC ACID, 7-AMINO-1,2,4,5-TETRAHYDRO-8-METHOXY-, 1,1-DIMETHYLETHYL ESTER
1Identification
【Name】
3H-3-BENZAZEPINE-3-CARBOXYLIC ACID, 7-AMINO-1,2,4,5-TETRAHYDRO-8-METHOXY-, 1,1-DIMETHYLETHYL ESTER
【CAS】
【MDL】
MFCD22191118
【English Synonyms】
【Formula】
C16 H24 N2 O3
【MolWeight】
292.377
【Inchi】
InChI=1S/C16H24N2O3/c1-16(2,3)21-15(19)18-7-5-11-9-13(17)14(20-4)10-12(11)6-8-18/h9-10H,5-8,17H2,1-4H3
【InChIKey】
InChIKey=JVJWENUWJAZYKF-UHFFFAOYSA-N
【SMILES】
CC(C)(C)OC(=O)N1CCc2cc(c(cc2CC1)OC)N
【MOL File】
3H-3-BENZAZEPINE-3-C….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3H-3-BENZAZEPINE-3-CARBOXYLIC ACID, 7-AMINO-1,2,4,5-TETRAHYDRO-8-METHOXY-, 1,1-DIMETHYLETHYL ESTER.cml