triethylamine hydrobromide

• ChemBase ID: 287534
• Molecular Formular: C6H16BrN
• Molecular Mass: 182.10194
• Monoisotopic Mass: 181.04661152
• SMILES: CCN(CC)CC.Br
• Canonical SMILES: CCN(CC)CC.Br
• InChI: InChI=1S/C6H15N.BrH/c1-4-7(5-2)6-3;/h4-6H2,1-3H3;1H
• InChIKey: NRTLTGGGUQIRRT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: triethylamine hydrobromide
• IUPAC Traditional name: triethylamine hydrobromide
• Synonyms: Triethylamine hydrobromide; Triethylamine hydrobromide; 三乙胺氢溴酸盐

Database IDs

• CAS Number: 636-70-4
• EC Number: 211-263-8
• MDL Number: MFCD00054287
• PubChem SID: 180673065
• PubChem CID: 2734074

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.2147028
• LogD (pH = 7.4): -1.4690653
• Log P: 1.2605933
• Molar Refractivity: 34.2339 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: ca 250°C dec.

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: X
• Risk Statements: 22-36/37/38
• Safety Statements: 26-36/37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P280H-P305+P351+P338

Product Information

• Purity: 95+%; 98%