(Z)-11-(5-Carboxypentylidene)-5,11-dihydropyrido(4,3-c)(1)benzazepin-5(6H)-one trihydrate

Base Information

• Chemical Name: (Z)-11-(5-Carboxypentylidene)-5,11-dihydropyrido(4,3-c)(1)benzazepin-5(6H)-one trihydrate
• CAS No.: 127653-97-8
• Molecular Formula: C19H18 N2 O3
• Molecular Weight: 322.3578
• Mol file: 127653-97-8.mol

Synonyms:(Z)-11-(5-Carboxypentylidene)-5,11-dihydropyrido(4,3-c)(1)benzazepin-5(6H)-one trihydrate;Hexanoic acid, 6-(5,6-dihydro-5-oxo-11H-pyrido(4,3-c)(1)benzazepin-11-ylidene)-, trihydrate, (Z)-;127653-97-8;SCHEMBL9042075;SCHEMBL9042908;C19H18N2O3.3H2O;C19-H18-N2-O3.3H2-O;LS-75256

Chemical Property of (Z)-11-(5-Carboxypentylidene)-5,11-dihydropyrido(4,3-c)(1)benzazepin-5(6H)-one trihydrate

Chemical Property:

• Vapor Pressure: 1.72E-10mmHg at 25°C
• Boiling Point: 491.9°C at 760 mmHg
• Flash Point: 251.3°C
• Density: 1.302g/cm³
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 322.13174244
• Heavy Atom Count: 24
• Complexity: 503

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(=CCCCCC(=O)O)C3=C(C=CN=C3)C(=O)N2
• Isomeric SMILES: C1=CC=C2C(=C1)/C(=C/CCCCC(=O)O)/C3=C(C=CN=C3)C(=O)N2

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