C21H24N2O2.ClH

Base Information

• Chemical Name: C21H24N2O2.ClH
• CAS No.: 2645-61-6
• Molecular Formula: C₂₁H₂₄N₂O₂*ClH
• Molecular Weight: 372.895
• European Community (EC) Number: 220-159-1

Synonyms:C21H24N2O2.ClH;EINECS 220-159-1;2645-61-6;CATHARANTHINE HCL;Methyl (2alpha,5beta,6alpha)-3,4-didehydroibogamine-18beta-carboxylate monohydrochloride;Ibogamine-18-carboxylic acid, 3,4-didehydro-, methyl ester, monohydrochloride, (2-alpha,5-beta,6-alpha,18-beta)-

Chemical Property of C21H24N2O2.ClH

Chemical Property:

• Boiling Point: 491.5°Cat760mmHg
• Flash Point: 251.1°C
• PSA: 45.33000
• Density: g/cm³
• LogP: 3.91520
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 372.1604557
• Heavy Atom Count: 26
• Complexity: 603

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC2CC3(C1[NH+](C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC.[Cl-]
• Isomeric SMILES: CCC1=C[C@H]2C[C@]3([C@@H]1[NH+](C2)CCC4=C3NC5=CC=CC=C45)C(=O)OC.[Cl-]

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