p-Chloro-alpha-phenylcinnamic acid 3-tropanyl ester hydrochloride hydrate

Base Information

• Chemical Name: p-Chloro-alpha-phenylcinnamic acid 3-tropanyl ester hydrochloride hydrate
• CAS No.: 100908-72-3
• Molecular Formula: C23H24 Cl N O2 . Cl H
• Molecular Weight: 0
• Mol file: 100908-72-3.mol

Synonyms:p-Chloro-alpha-phenylcinnamic acid 3-tropanyl ester hydrochloride hydrate;100908-72-3;CINNAMIC ACID, p-CHLORO-alpha-PHENYL-, 3-TROPANYL ESTER, HYDROCHLORIDE, HYDRATE;C23H24ClNO2.ClH.H2O;C23-H24-Cl-N-O2.Cl-H.H2-O;LS-54066

Chemical Property of p-Chloro-alpha-phenylcinnamic acid 3-tropanyl ester hydrochloride hydrate

Chemical Property:

• Vapor Pressure: 3.75E-10mmHg at 25°C
• Boiling Point: 500.6°Cat760mmHg
• Flash Point: 256.5°C
• PSA: 29.54000
• Density: g/cm³
• LogP: 5.78890
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 417.1262344
• Heavy Atom Count: 28
• Complexity: 535

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C[NH+]1C2CCC1CC(C2)OC(=O)C(=CC3=CC=C(C=C3)Cl)C4=CC=CC=C4.[Cl-]
• Isomeric SMILES: C[NH+]1C2CCC1CC(C2)OC(=O)/C(=C/C3=CC=C(C=C3)Cl)/C4=CC=CC=C4.[Cl-]