1-(adamantan-1-yl)-1$l^{5}-pyridin-1-ylium bromide

• ChemBase ID: 55702
• Molecular Formular: C15H20BrN
• Molecular Mass: 294.23
• Monoisotopic Mass: 293.07791165
• SMILES: C1C2CC3CC1(CC(C2)C3)[n+]1ccccc1.[Br-]
• Canonical SMILES: C1C2CC3CC1CC(C2)(C3)[n+]1ccccc1.[Br-]
• InChI: InChI=1S/C15H20N.BrH/c1-2-4-16(5-3-1)15-9-12-6-13(10-15)8-14(7-12)11-15;/h1-5,12-14H,6-11H2;1H/q+1;/p-1
• InChIKey: AXXUSTFZAJVTMK-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(adamantan-1-yl)-1$l^{5}-pyridin-1-ylium bromide
• IUPAC Traditional name: 1-(adamantan-1-yl)-1$l^{5}-pyridin-1-ylium bromide
• Synonyms: 1-(1-Adamantyl)pyridinium bromide

Database IDs

• CAS Number: 19984-57-7
• MDL Number: MFCD00168146
• PubChem SID: 162060465
• PubChem CID: 13287148

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.0963886
• LogD (pH = 7.4): -1.0963886
• Log P: -1.0963886
• Molar Refractivity: 65.6733 cm^3
• Polarizability: 25.853321 Å^3
• Polar Surface Area: 3.88 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false