tetrakis(2H7)propylazanium bromide

• ChemBase ID: 139043
• Molecular Formular: C12H28BrN
• Molecular Mass: 266.26142
• Monoisotopic Mass: 265.1405119
• SMILES: CCC[N+](CCC)(CCC)CCC.[Br-]
• Canonical SMILES: CCC[N+](CCC)(CCC)CCC.[Br-]
• InChI: InChI=1S/C12H28N.BrH/c1-5-9-13(10-6-2,11-7-3)12-8-4;/h5-12H2,1-4H3;1H/q+1;/p-1
• InChIKey: BGQMOFGZRJUORO-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: tetrakis(^2H₇)propylazanium bromide
• IUPAC Traditional name: tetrakis(^2H₇)propylazanium bromide
• Synonyms: Tetrapropyl-d28 ammonium bromide; 四丙基-d28 溴化铵

Database IDs

• CAS Number: 284474-84-6
• MDL Number: MFCD01074131
• PubChem SID: 24872833; 162233294
• PubChem CID: 16213617

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -0.45484576
• LogD (pH = 7.4): -0.45484576
• Log P: -0.45484576
• Molar Refractivity: 72.9921 cm^3
• Polarizability: 24.346558 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 270 °C (dec.)(lit.)
• Mass Shift: M+28

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

Product Information

• Isotopic Purity: 98 atom % D
• Mol. Weight: mol wt 293.87 by atom % calculation
• Linear Formula: (CD3CD2CD2)4N+Br -

DETAILS

Sigma Aldrich - 493430

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.