amine (81Br)hydrobromide

• ChemBase ID: 136880
• Molecular Formular: BrN
• Molecular Mass: 94.92299
• Monoisotopic Mass: 94.91936401
• SMILES: N.[81BrH]
• Canonical SMILES: N.[81BrH]
• InChI: InChI=1S/BrH.H3N/h1H;1H3/i1+1
• InChIKey: SWLVFNYSXGMGBS-YTBWXGASSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: amine (^8^1Br)hydrobromide
• IUPAC Traditional name: amine (^8^1Br)hydrobromide
• Synonyms: Ammonium bromide-81Br; 溴化铵-81Br

Database IDs

• MDL Number: MFCD00084260
• PubChem SID: 162231147; 24868666
• PubChem CID: 71310003

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.7525723
• LogD (pH = 7.4): -2.4393091
• Log P: -0.978
• Molar Refractivity: 15.5149 cm^3
• Polarizability: 2.2600515 Å^3
• Polar Surface Area: 13.59 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Mass Shift: M+2 (based on a bromine mass number of 79)

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 22-36/37/38
• 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: 90 atom % 81Br
• Linear Formula: NH481Br

DETAILS

Sigma Aldrich - 451959

Packaging
100, 250 mg in glass bottle
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.