RefChem:339885 structure

RefChem:339885

dimethyl-[2-[(5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)oxy]ethyl]azanium;2-hydroxy-2-oxoacetate

Also Known As: RefChem:339885|AC1L1ZW2|CTK4I3185|Ethanamine, N,N-dimethyl-2-((6,7,8,9-tetrahydro-5-phenyl-5H-benzocyclohepten-5-yl)oxy)-, ethandioate (1:1)|DIMETHYL-[2-[(9-PHENYL-5,6,7,8-TETRAHYDROBENZO[7]ANNULEN-9-YL)OXY]ETHYL]AZANIUM;2-HYDROXY-2-OXOACETATE|DIMETHYL-[2-[(2-PHENYL-2-BICYCLO[5.4.0]UNDECA-7,9,11-TRIENYL)OXY]ETHYL]AZANIUM|ETHANAMINE, N,N-DIMETHYL-2-((6,7,8,9-TETRAHYDRO-5-PHENYL-5H-BENZOCYCLOHEPTEN-5-Y|DIMETHYL-[2-[(2-PHENYL-2-BICYCLO[5.4.0]UNDECA-7,9,11-TRIENYL)OXY]ETHYL]AZANIUM; 2-HYDROXY-2-OXO-ACETATE|dimethyl-[2-[(5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)oxy]ethyl]azanium,2-hydroxy-2-oxoacetate|dimethyl-[2-[(5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)oxy]ethyl]azanium; 2-hydroxy-2-oxoacetate

CAS: 40494-48-2
Molecular Formula C23H29NO5
Molecular Weight 399.20456 g/mol
LogP 0.64
Topological Polar Surface Area 91.1 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
Rotatable Bonds 5
Exact Mass 399.20456
Heavy Atoms 29
Complexity 793.9

Chemical Identifiers

CAS Number 40494-48-2
SMILES C[NH+](C)CCOC1(CCCCC2=CC=CC=C21)C3=CC=CC=C3.C(=O)(C(=O)[O-])O

Product Overview

RefChem:339885 (CAS 40494-48-2), with molecular formula C23H29NO5 and molecular weight 399.20456 g/mol. IUPAC: dimethyl-[2-[(5-phenyl-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)oxy]ethyl]azanium;2-hydroxy-2-oxoacetate.

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