beta-Benzalbutyramide

Base Information

• Chemical Name: beta-Benzalbutyramide
• CAS No.: 7236-47-7
• Molecular Formula: C11H13 N O
• Molecular Weight: 175.23
• Hs Code.: 2924299090
• European Community (EC) Number: 230-637-1
• UNII: NCL11JK5LF
• Nikkaji Number: J8.913C
• Wikidata: Q27284798
• Mol file: 7236-47-7.mol

Synonyms:3-methyl-4-phenyl-3-butenamide;beta-benzalbutyramide;beta-benzalbutyramide, (E)-isomer;Kata-Lipid

Chemical Property of beta-Benzalbutyramide

Chemical Property:

• Vapor Pressure: 3E-05mmHg at 25°C
• Melting Point: 132 °C
• Refractive Index: 1.5250 (estimate)
• Boiling Point: 356.1°C at 760 mmHg
• Flash Point: 169.1°C
• PSA: 43.09000
• Density: 1.068g/cm³
• LogP: 2.66560
• Solubility.: almost transparency in Methanol
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 175.099714038
• Heavy Atom Count: 13
• Complexity: 202

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Benzylidene-N-butyramide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CC1=CC=CC=C1)CC(=O)N
• Isomeric SMILES: C/C(=C\C1=CC=CC=C1)/CC(=O)N