N-Butyryl-N'-cinnamyl-2,6-dimethylpiperazine hydrochloride hemihydrate

Base Information

• Chemical Name: N-Butyryl-N'-cinnamyl-2,6-dimethylpiperazine hydrochloride hemihydrate
• CAS No.: 98608-60-7
• Molecular Formula: C19H28 N2 O . Cl H
• Molecular Weight: 336.8994
• Mol file: 98608-60-7.mol

Synonyms:N-Butyryl-N'-cinnamyl-2,6-dimethylpiperazine hydrochloride hemihydrate;98608-60-7;1-(4-cinnamyl-2,6-dimethylpiperazin-1-yl)butan-1-one hydrochloride;Piperazine, 2,6-dimethyl-1-(1-oxobutyl)-4-(3-phenyl-2-propenyl)-, hydrochloride, hydrate (2:2:1);LS-111823

Chemical Property of N-Butyryl-N'-cinnamyl-2,6-dimethylpiperazine hydrochloride hemihydrate

Chemical Property:

• Vapor Pressure: 1.76E-08mmHg at 25°C
• Boiling Point: 455.4 °C at 760 mmHg
• Flash Point: 187.8 °C
• PSA: 23.55000
• Density: g/cm³
• LogP: 4.09890
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 336.1968412
• Heavy Atom Count: 23
• Complexity: 362

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)N1C(CN(CC1C)CC=CC2=CC=CC=C2)C.Cl
• Isomeric SMILES: CCCC(=O)N1C(CN(CC1C)C/C=C/C2=CC=CC=C2)C.Cl

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