(7-bromoheptyl)trimethylazanium bromide

• ChemBase ID: 162924
• Molecular Formular: C10H23Br2N
• Molecular Mass: 317.10432
• Monoisotopic Mass: 315.01972374
• SMILES: [N+](CCCCCCCBr)(C)(C)C.[Br-]
• Canonical SMILES: BrCCCCCCC[N+](C)(C)C.[Br-]
• InChI: InChI=1S/C10H23BrN.BrH/c1-12(2,3)10-8-6-4-5-7-9-11;/h4-10H2,1-3H3;1H/q+1;/p-1
• InChIKey: DKZPHMNXOPCINV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (7-bromoheptyl)trimethylazanium bromide
• IUPAC Traditional name: (7-bromoheptyl)trimethylazanium bromide
• Synonyms: 7-Bromo-N,N,N-trimethyl-1-heptanaminium Bromide; 1-Bromo-7-(trimethylammonium)heptyl Bromide

Database IDs

• CAS Number: 1159174-36-3
• PubChem SID: 162257059
• PubChem CID: 46783693

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -1.2111536
• LogD (pH = 7.4): -1.2111536
• Log P: -1.2111536
• Molar Refractivity: 71.5415 cm^3
• Polarizability: 23.224495 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol; Water
• Apperance: Brownish Oil