alpha-Phenylcinnamic acid 3-tropanyl ester hydrochloride hydrate

Base Information

• Chemical Name: alpha-Phenylcinnamic acid 3-tropanyl ester hydrochloride hydrate
• CAS No.: 100908-76-7
• Molecular Formula: C23H25 N O2 . Cl H
• Molecular Weight: 383.911
• Mol file: 100908-76-7.mol

Synonyms:alpha-Phenylcinnamic acid 3-tropanyl ester hydrochloride hydrate;100908-76-7;CINNAMIC ACID, alpha-PHENYL-, 3-TROPANYL ESTER, HYDROCHLORIDE, HYDRATE;Benzeneacetic acid, alpha-(phenylmethylene)-, 8-methyl-8-azabicyclo(3.2.1)oct-3-yl ester, HCl;C23H25NO2.ClH.H2O;C23-H25-N-O2.Cl-H.H2-O;LS-54173

Chemical Property of alpha-Phenylcinnamic acid 3-tropanyl ester hydrochloride hydrate

Chemical Property:

• Vapor Pressure: 4.14E-09mmHg at 25°C
• Boiling Point: 472.8°Cat760mmHg
• Flash Point: 149.7°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 383.1652068
• Heavy Atom Count: 27
• Complexity: 502

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

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

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