AC1MIJW5 structure

AC1MIJW5

N-[2-(2-benzylbenzimidazol-1-yl)ethyl]-2-methyl-3-phenothiazin-10-ylpropan-1-amine;oxalic acid

Also Known As: 10-(3-((2-(2-Benzyl-1-benzimidazolyl)ethyl)amino)-2-methylpropyl)phenothiazine oxalate|Phenothiazine, 10-(3-((2-(2-benzyl-1-benzimidazolyl)ethyl)amino)-2-methylpropyl)-, oxalate|Phenothiazine,10-(3-((2-(2-benzyl-1-benzimidazolyl)ethyl)amino)-2-methylpropyl)-,oxalate|N-[2-(2-benzylbenzimidazol-1-yl)ethyl]-2-methyl-3-phenothiazin-10-ylpropan-1-amine,oxalic acid|N-[2-(2-benzylbenzimidazol-1-yl)ethyl]-2-methyl-3-phenothiazin-10-ylpropan-1-amine; oxalic acid|Oxalic acid--N-[2-(2-benzyl-1H-1,3-benzimidazol-1-yl)ethyl]-2-methyl-3-(10H-phenothiazin-10-yl)propan-1-amine (1/1)|Oxalic acid--N-[2-(2-benzyl-1H-benzimidazol-1-yl)ethyl]-2-methyl-3-(10H-phenothiazin-10-yl)propan-1-amine (1/1)

CAS: 61981-87-1
Molecular Formula C34H34N4O4S
Molecular Weight 594.2301 g/mol
LogP 6.3113
Topological Polar Surface Area 107.69 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 6
Rotatable Bonds 9
Exact Mass 594.2301
Monoisotopic Mass 594.2301
Heavy Atoms 43
Complexity 1648.0623

Chemical Identifiers

CAS Number 61981-87-1
SMILES CC(CNCCN1C2=CC=CC=C2N=C1CC3=CC=CC=C3)CN4C5=CC=CC=C5SC6=CC=CC=C64.C(=O)(C(=O)O)O

Product Overview

AC1MIJW5 (CAS 61981-87-1), with molecular formula C34H34N4O4S and molecular weight 594.2301 g/mol. IUPAC: N-[2-(2-benzylbenzimidazol-1-yl)ethyl]-2-methyl-3-phenothiazin-10-ylpropan-1-amine;oxalic acid.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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