(2-bromoethyl)diethylamine hydrobromide

• ChemBase ID: 145953
• Molecular Formular: C6H15Br2N
• Molecular Mass: 260.998
• Monoisotopic Mass: 258.95712349
• SMILES: CCN(CC)CCBr.Br
• Canonical SMILES: BrCCN(CC)CC.Br
• InChI: InChI=1S/C6H14BrN.BrH/c1-3-8(4-2)6-5-7;/h3-6H2,1-2H3;1H
• InChIKey: HLMHCDKXKXBKQK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromoethyl)diethylamine hydrobromide
• IUPAC Traditional name: (2-bromoethyl)diethylamine hydrobromide
• Synonyms: 2-Bromo-N,N-diethylethylamine hydrobromide; 2-溴-N,N-二乙基乙胺 氢溴酸盐

Database IDs

• CAS Number: 1069-72-3
• EC Number: 213-962-3
• MDL Number: MFCD00040376
• PubChem SID: 24868558; 162240153
• PubChem CID: 70607

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.63074774
• LogD (pH = 7.4): 1.1217284
• Log P: 1.7537705
• Molar Refractivity: 41.8121 cm^3
• Polarizability: 15.9834795 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 211-215 °C (dec.)(lit.)

Safety Information

• European Hazard Symbols: Toxic (T)
• UN Number: 2811
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 3
• Risk Statements: 25-37/38-41
• Safety Statements: 26-39-45
• GHS Pictograms: GHS05; GHS06
• GHS Signal Word: Danger
• GHS Hazard statements: H300-H315-H318-H335
• GHS Precautionary statements: P261-P264-P280-P301 + P310-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
• RID/ADR: UN 2811 6.1/PG 3

Product Information

• Purity: 98%
• Linear Formula: (C2H5)2NCH2CH2Br·HBr

DETAILS

Sigma Aldrich - 453064

Packaging
25, 100 g in poly bottle