11-Bromo-N-vanillyl-10-undecenamide

Base Information

• Chemical Name: 11-Bromo-N-vanillyl-10-undecenamide
• CAS No.: 102613-03-6
• Molecular Formula: C19H28 Br N O3
• Molecular Weight: 0
• NSC Number: 659191
• Nikkaji Number: J96.582K
• Wikidata: Q76312317
• ChEMBL ID: CHEMBL1975693
• Mol file: 102613-03-6.mol

Synonyms:11-Bromo-N-vanillyl-10-undecenamide;102613-03-6;NSC659191;10-Undecenamide, 11-bromo-N-vanillyl-;11-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-enamide;(E)-11-bromo-N-[(4-hydroxy-3-methoxyphenyl)methyl]undec-10-enamide;11-Bromo-N-(4-hydroxy-3-methoxybenzyl)-10-undecenamide;CHEMBL1975693;NSC-659191;LS-158467;(E)-11-bromo-N-[(4-hydroxy-3-methoxy-phenyl)methyl]undec-10-enamide

Chemical Property of 11-Bromo-N-vanillyl-10-undecenamide

Chemical Property:

• Vapor Pressure: 1.04E-13mmHg at 25°C
• Boiling Point: 572.5°Cat760mmHg
• Flash Point: 300°C
• PSA: 62.05000
• Density: 1.235g/cm³
• LogP: 5.88670
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 12
• Exact Mass: 397.12526
• Heavy Atom Count: 24
• Complexity: 363

Purity/Quality:

11-BROMO-N-VANILLYL-10-UNDECENAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=CC(=C1)CNC(=O)CCCCCCCCC=CBr)O
• Isomeric SMILES: COC1=C(C=CC(=C1)CNC(=O)CCCCCCCC/C=C/Br)O