4-Phenyl-5-(3-dimethylaminopropylidene)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin maleate

Base Information

• Chemical Name: 4-Phenyl-5-(3-dimethylaminopropylidene)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin maleate
• CAS No.: 40411-10-7
• Molecular Formula: C25H28ClNO5
• Molecular Weight: 457.9465

Synonyms:4-Phenyl-5-(3-dimethylaminopropylidene)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin maleate;1-Propanamine, 3-(8-chloro-3,4-dihydro-4-phenyl-1-benzoxepin-5(2H)-ylidene)-N,N-dimethyl-, (Z)-2-butenedioate (1:1);40411-10-7;C21H24ClNO.C4H4O4;C21-H24-Cl-N-O.C4-H4-O4;LS-119416

Chemical Property of 4-Phenyl-5-(3-dimethylaminopropylidene)-8-chloro-2,3,4,5-tetrahydro-1-benzoxepin maleate

Chemical Property:

• Vapor Pressure: 4.2E-08mmHg at 25°C
• Boiling Point: 444.7°Cat760mmHg
• Flash Point: 222.7°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 457.1656007
• Heavy Atom Count: 32
• Complexity: 535

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN(C)CCC=C1C(CCOC2=C1C=CC(=C2)Cl)C3=CC=CC=C3.C(=CC(=O)O)C(=O)O
• Isomeric SMILES: CN(C)CC/C=C\1/C(CCOC2=C1C=CC(=C2)Cl)C3=CC=CC=C3.C(=C/C(=O)O)\C(=O)O

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