(6-bromohexyl)trimethylazanium bromide

• ChemBase ID: 162925
• Molecular Formular: C9H21Br2N
• Molecular Mass: 303.07774
• Monoisotopic Mass: 301.00407368
• SMILES: [N+](CCCCCCBr)(C)(C)C.[Br-]
• Canonical SMILES: BrCCCCCC[N+](C)(C)C.[Br-]
• InChI: InChI=1S/C9H21BrN.BrH/c1-11(2,3)9-7-5-4-6-8-10;/h4-9H2,1-3H3;1H/q+1;/p-1
• InChIKey: KNKBZYUINRTEOG-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (6-bromohexyl)trimethylazanium bromide
• IUPAC Traditional name: (6-bromohexyl)trimethylazanium bromide
• Synonyms: 6-Bromo-N,N,N-trimethyl-1-hexanaminium Bromide; (6-Bromohexyl)trimethylammonium Bromide; 1-Bromo-6-(trimethylammonium)hexyl Bromide

Database IDs

• CAS Number: 32765-81-4
• PubChem SID: 162257060
• PubChem CID: 9857584

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.6557223
• LogD (pH = 7.4): -1.6557223
• Log P: -1.6557223
• Molar Refractivity: 66.9405 cm^3
• Polarizability: 21.39836 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Ethanol; Methanol; Water
• Apperance: Light Brown Oil