(5-bromopentyl)trimethylazanium bromide

• ChemBase ID: 150780
• Molecular Formular: C8H19Br2N
• Molecular Mass: 289.05116
• Monoisotopic Mass: 286.98842361
• SMILES: C[N+](C)(C)CCCCCBr.[Br-]
• Canonical SMILES: BrCCCCC[N+](C)(C)C.[Br-]
• InChI: InChI=1S/C8H19BrN.BrH/c1-10(2,3)8-6-4-5-7-9;/h4-8H2,1-3H3;1H/q+1;/p-1
• InChIKey: GEIHNRASRNQTDE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: (5-bromopentyl)trimethylazanium bromide
• IUPAC Traditional name: (5-bromopentyl)trimethylazanium bromide
• Synonyms: (5-Bromopentyl)trimethylammonium bromide; 5-Bromo-N,N,N-trimethyl-1-pentanaminium Bromide; (5-Bromopentyl)trimethylammonium Bromide; 5-Bromopentyltrimethylammonium Bromide; (5-溴戊基)三甲基溴化铵

Database IDs

• CAS Number: 15008-33-0
• MDL Number: MFCD00545102
• PubChem SID: 162244940; 24874336
• PubChem CID: 11098210

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -2.100291
• LogD (pH = 7.4): -2.100291
• Log P: -2.100291
• Molar Refractivity: 62.3395 cm^3
• Polarizability: 19.575294 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: DMSO; Methanol; Water
• Apperance: White Solid
• Melting Point: 130-131°C; 141-143 °C(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 97%
• Linear Formula: Br(CH2)5N(CH3)3Br

DETAILS

Sigma Aldrich - 523461

Packaging
5 g in glass bottle