alpha-(p-Ethylphenyl)cinnamic acid 3-tropanyl ester hydrochloride hydrate

Base Information

• Chemical Name: alpha-(p-Ethylphenyl)cinnamic acid 3-tropanyl ester hydrochloride hydrate
• CAS No.: 100908-73-4
• Molecular Formula: C25H29 N O2 . Cl H
• Molecular Weight: 411.9642
• Mol file: 100908-73-4.mol

Synonyms:alpha-(p-Ethylphenyl)cinnamic acid 3-tropanyl ester hydrochloride hydrate;CINNAMIC ACID, alpha-(p-ETHYLPHENYL)-, 3-TROPANYL ESTER, HYDROCHLORIDE, HYDRATE;100908-73-4;C25H29NO2.ClH.H2O;C25-H29-N-O2.Cl-H.H2-O;LS-54104

Chemical Property of alpha-(p-Ethylphenyl)cinnamic acid 3-tropanyl ester hydrochloride hydrate

Chemical Property:

• Vapor Pressure: 4.71E-10mmHg at 25°C
• Boiling Point: 498°C at 760 mmHg
• Flash Point: 148.7°C
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 411.1965069
• Heavy Atom Count: 29
• Complexity: 543

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=C(C=C1)C(=CC2=CC=CC=C2)C(=O)OC3CC4CCC(C3)[NH+]4C.[Cl-]
• Isomeric SMILES: CCC1=CC=C(C=C1)/C(=C\C2=CC=CC=C2)/C(=O)OC3CC4CCC(C3)[NH+]4C.[Cl-]