1-Piperidinepropanoic acid, 4-(8-fluoro(1)benzoxepino(4,3-b)pyridin-11(5H)-ylidene)-, dihydrate

Base Information

• Chemical Name: 1-Piperidinepropanoic acid, 4-(8-fluoro(1)benzoxepino(4,3-b)pyridin-11(5H)-ylidene)-, dihydrate
• CAS No.: 188199-97-5
• Molecular Formula: C21H25FN2O5
• Molecular Weight: 404.432
• DSSTox Substance ID: DTXSID10172166
• Mol file: 188199-97-5.mol

Synonyms:HSR 609;HSR-609

Chemical Property of 1-Piperidinepropanoic acid, 4-(8-fluoro(1)benzoxepino(4,3-b)pyridin-11(5H)-ylidene)-, dihydrate

Chemical Property:

• Vapor Pressure: 2.16E-14mmHg at 25°C
• Boiling Point: 582.1°C at 760 mmHg
• Flash Point: 305.8°C
• PSA: 81.12000
• LogP: 3.29480
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 404.17475006
• Heavy Atom Count: 29
• Complexity: 572

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCC1=C2C3=C(C=C(C=C3)F)OCC4=C2N=CC=C4)CCC(=O)O.O.O

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