RefChem:1067353 structure

RefChem:1067353

bis(3-(6H-benzo[c][1,5]benzoxazepin-11-yl)-3-methylcyclobutan-1-amine);(E)-but-2-enedioic acid

Also Known As: C18H20N2O.1/2C4H4O4|C18-H20-N2-O.1/2C4-H4-O4|3-Azetidinamine, 1-(6,11-dihydrodibenz(b,e)oxepin-11-yl)-N-methyl-, (+)-, trans-2-butenedioate (2:1)|3-(6H-benzo[c][1,5]benzoxazepin-11-yl)-3-methylcyclobutan-1-amine; (E)-but-2-enedioic acid

CAS: 69159-31-5
Molecular Formula C40H44N4O6
Molecular Weight 676.3261 g/mol
LogP 6.9056
Topological Polar Surface Area 151.58 Ų
Hydrogen Bond Donors 4
Hydrogen Bond Acceptors 8
Rotatable Bonds 4
Exact Mass 676.3261
Monoisotopic Mass 676.3261
Heavy Atoms 50
Complexity 1651.1161

Chemical Identifiers

CAS Number 69159-31-5
SMILES CC1(CC(C1)N)N2C3=CC=CC=C3COC4=CC=CC=C42.CC1(CC(C1)N)N2C3=CC=CC=C3COC4=CC=CC=C42.C(=C/C(=O)O)\C(=O)O

Product Overview

RefChem:1067353 (CAS 69159-31-5), with molecular formula C40H44N4O6 and molecular weight 676.3261 g/mol. IUPAC: bis(3-(6H-benzo[c][1,5]benzoxazepin-11-yl)-3-methylcyclobutan-1-amine);(E)-but-2-enedioic 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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