3-(Hexahydro-1H-azepin-1-yl)-3'-nitropropiophenone hydrochloride

Base Information

• Chemical Name: 3-(Hexahydro-1H-azepin-1-yl)-3'-nitropropiophenone hydrochloride
• CAS No.: 13492-21-2
• Molecular Formula: C15H20 N2 O3 . Cl H
• Molecular Weight: 312.79184
• European Community (EC) Number: 236-808-7
• UNII: Y50DZH35VZ
• DSSTox Substance ID: DTXSID70159079
• Wikidata: Q27891290
• Mol file: 13492-21-2.mol

Synonyms:3-(hexahydro-lH-azepin-lyl)-3'nitropropiophenone hydrochloride;phenitrone;phenitrone monohydrochloride

Chemical Property of 3-(Hexahydro-1H-azepin-1-yl)-3'-nitropropiophenone hydrochloride

Chemical Property:

• Boiling Point: 401.8°Cat760mmHg
• Flash Point: 196.8°C
• PSA: 66.13000
• Density: g/cm³
• LogP: 0.62120
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 312.1240702
• Heavy Atom Count: 21
• Complexity: 333

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCCN(CC1)CCC(=O)C2=CC(=CC=C2)[N+](=O)[O-].Cl

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