5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one

Base Information

• Chemical Name: 5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one
• CAS No.: 67634-35-9
• Molecular Formula: C₁₃H₁₆N₂O
• Molecular Weight: 216.283
• DSSTox Substance ID: DTXSID50390524
• Nikkaji Number: J366.883E
• Wikidata: Q27192537
• ChEMBL ID: CHEMBL1325171

Synonyms:5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one;MLS000086246;67634-35-9;5a,6,7,8,9,10-hexahydro-5H-azepino[2,1-b]quinazolin-12-one;CHEMBL1325171;DTXSID50390524;CHEBI:112433;HMS2333H05;STK067399;NCGC00043814-02;SMR000021755;SR-01000092345;SR-01000092345-1;2,3-pentamethylene-1,2,3,4-tetrahydro-4-quinazolone;Q27192537

Chemical Property of 5a,6,7,8,9,10-hexahydroazepino[2,1-b]quinazolin-12(5H)-one

Chemical Property:

• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 216.126263138
• Heavy Atom Count: 16
• Complexity: 279

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: C1CCC2NC3=CC=CC=C3C(=O)N2CC1

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