8,11-Iminoazepino(1,2-b)isoquinoline-10-carboxylic acid, 5,7,8,9,10,11,11a,12-octahydro-1,7-dicyano-5-(hydroxymethyl)-4-methoxy-13-methyl-

Base Information

• Chemical Name: 8,11-Iminoazepino(1,2-b)isoquinoline-10-carboxylic acid, 5,7,8,9,10,11,11a,12-octahydro-1,7-dicyano-5-(hydroxymethyl)-4-methoxy-13-methyl-
• CAS No.: 118582-93-7
• Molecular Formula: C20H22 N4 O4
• Molecular Weight: 382.4131
• DSSTox Substance ID: DTXSID60922719
• Mol file: 118582-93-7.mol

Synonyms:118582-93-7;8,11-Iminoazepino(1,2-b)isoquinoline-10-carboxylic acid, 5,7,8,9,10,11,11a,12-octahydro-1,7-dicyano-5-(hydroxymethyl)-4-methoxy-13-methyl-;DTXSID60922719;1,7-Dicyano-5-(hydroxymethyl)-4-methoxy-13-methyl-5,7,8,9,10,11,11a,12-octahydro-8,11-epiminoazepino[1,2-b]isoquinoline-10-carboxylic acid

Chemical Property of 8,11-Iminoazepino(1,2-b)isoquinoline-10-carboxylic acid, 5,7,8,9,10,11,11a,12-octahydro-1,7-dicyano-5-(hydroxymethyl)-4-methoxy-13-methyl-

Chemical Property:

• Vapor Pressure: 1.03E-18mmHg at 25°C
• Boiling Point: 667.3°Cat760mmHg
• Flash Point: 357.3°C
• Density: 1.45g/cm³
• XLogP3: -2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 382.16410520
• Heavy Atom Count: 28
• Complexity: 741

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2CC(C1C3CC4=C(C=CC(=C4C(N3C2C#N)CO)OC)C#N)C(=O)O