3-(Diethylamino)propyl cinnamate

Base Information

• Chemical Name: 3-(Diethylamino)propyl cinnamate
• CAS No.: 4361-80-2
• Molecular Formula: C16H23 N O2
• Molecular Weight: 261.40
• Hs Code.: 2922199090
• Nikkaji Number: J55.414F
• Mol file: 4361-80-2.mol

Synonyms:Apothesine;3-(DIETHYLAMINO)PROPYL CINNAMATE;4361-80-2;Cinnamic acid, 3-(diethylamino)propyl ester;3-(diethylamino)propyl (E)-3-phenylprop-2-enoate;BRN 2582569;3-(Diethylamino)propylcinnamate;SCHEMBL7908622;CHLMFHKZCVSJIJ-VAWYXSNFSA-N;LS-54085;3-(Diethylamino)propyl (2E)-3-phenyl-2-propenoate #;CINNAMIC ACID, 3-(DIETHYLAMINO) PROPYL ESTER

Chemical Property of 3-(Diethylamino)propyl cinnamate

Chemical Property:

• Vapor Pressure: 6.25E-06mmHg at 25°C
• Melting Point: 137℃ (ethanol ethyl ether )
• Refractive Index: 1.5500 (estimate)
• Boiling Point: 378.5±25.0℃ (760 Torr)
• PKA: 10.04±0.25(Predicted)
• Flash Point: 127.8±14.0℃
• PSA: 29.54000
• Density: 1.018±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 2.97490
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 261.172878976
• Heavy Atom Count: 19
• Complexity: 266

Purity/Quality:

99% ^*data from raw suppliers

3-(Diethylamino)propylcinnamate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCN(CC)CCCOC(=O)C=CC1=CC=CC=C1
• Isomeric SMILES: CCN(CC)CCCOC(=O)/C=C/C1=CC=CC=C1