N(sup 4)-Allylajmalinium bromide

Base Information

• Chemical Name: N(sup 4)-Allylajmalinium bromide
• CAS No.: 107870-71-3
• Molecular Formula: C23H31N2O2.Br
• Molecular Weight: 447.414
• Mol file: 107870-71-3.mol

Synonyms:N(sup 4)-Allylajmalinium bromide;N(sup 6)-Allylajmalinium bromide;Ajmalinium, N(sup 4)-allyl-, bromide;Ajmalanium, 17,21-dihydroxy-4-(2-propenyl)-, bromide, (17R,21-alpha)-;LS-15676

Chemical Property of N(sup 4)-Allylajmalinium bromide

Chemical Property:

• Melting Point: 252 - 254 °C
• PSA: 43.70000
• LogP: -0.71690
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 446.15689
• Heavy Atom Count: 28
• Complexity: 669

Purity/Quality:

(17R,21-ALPHA)-17,21-DIHYDROXY-4-(2-PROPENYL)AJMALANIUM BROMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1C2CC3C4C5(CC(C2C5O)[N+]3(C1O)CC=C)C6=CC=CC=C6N4C.[Br-]
• Isomeric SMILES: CC[C@@H]1[C@H]([N+]2([C@H]3CC1C4[C@@H]2CC5([C@H]3N(C6=CC=CC=C65)C)[C@@H]4O)CC=C)O.[Br-]

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