diethylamine hydrochloride

• ChemBase ID: 103194
• Molecular Formular: C4H12ClN
• Molecular Mass: 109.59778
• Monoisotopic Mass: 109.06582707
• SMILES: Cl.CCNCC
• Canonical SMILES: CCNCC.Cl
• InChI: InChI=1S/C4H11N.ClH/c1-3-5-4-2;/h5H,3-4H2,1-2H3;1H
• InChIKey: HDITUCONWLWUJR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethylamine hydrochloride
• IUPAC Traditional name: diethylamine hydrochloride
• Synonyms: Diethylamine hydrochloride; Diethylammonium chloride; DIETHYLAMINE HYDROCHLORIDE; 二乙胺 盐酸盐; 二乙胺盐酸盐

Database IDs

• CAS Number: 660-68-4
• EC Number: 211-541-9
• MDL Number: MFCD00012499
• Beilstein Number: 3590084
• Merck Index: 143111
• PubChem SID: 24859076; 162090548; 24847795
• PubChem CID: 10197650

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: 226-229 °C; 227-230 °C(lit.); 227-230°C
• Boiling Point: 320-330°C

Safety Information

• Storage Condition: Room Temperature (15-30°C), Desiccate
• Storage Warning: Hygroscopic
• RTECS: IA3084000
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 1
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• 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: ~99%; ≥98.0% (AT); 99%
• Grade: purum; ReagentPlus®
• Linear Formula: (C2H5)2NH · HCl

DETAILS

MP Biomedicals - 02150884

Hydrochloride
Crystalline
Purity: ~ 99%

Sigma Aldrich - 127744

Packaging
100, 500 g in poly bottle
2.5 kg in poly drum
Legal Information
ReagentPlus is a registered trademark of Sigma-Aldrich Co. LLC

REFERENCES

• For Mannich reaction with paraformaldehyde and acetone, see: Org. Synth. Coll., 4, 281 (1963).