diethylamine hydrobromide

• ChemBase ID: 107768
• Molecular Formular: C4H12BrN
• Molecular Mass: 154.04878
• Monoisotopic Mass: 153.01531139
• SMILES: Br.CCNCC
• Canonical SMILES: CCNCC.Br
• InChI: InChI=1S/C4H11N.BrH/c1-3-5-4-2;/h5H,3-4H2,1-2H3;1H
• InChIKey: AATGHKSFEUVOPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethylamine hydrobromide
• IUPAC Traditional name: diethylamine hydrobromide
• Synonyms: Diethylamine hydrobromide; Diethylammonium bromide; DIETHYLAMINE HYDROBROMIDE; 二乙胺 氢溴酸盐; 二乙胺氢溴酸盐

Database IDs

• CAS Number: 6274-12-0
• EC Number: 228-466-2
• MDL Number: MFCD00012498
• Beilstein Number: 3905681
• PubChem SID: 162094094; 24858825
• PubChem CID: 10986453

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.7150512
• LogD (pH = 7.4): -2.3893538
• Log P: 0.5207374
• Molar Refractivity: 24.1906 cm^3
• Polarizability: 9.648022 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 218-220 °C(lit.); 218-220°C

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37; 26-37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 98%
• Linear Formula: (C2H5)2NH · HBr

DETAILS

MP Biomedicals - 05204968

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 310905

Packaging
100 g in glass bottle