diethylamine hydrochloride

• ChemBase ID: 137068
• Molecular Formular: C4H12ClN
• Molecular Mass: 110.5911889
• Monoisotopic Mass: 110.06286196
• SMILES: CC[15NH]CC.Cl
• Canonical SMILES: CC[15NH]CC.Cl
• InChI: InChI=1S/C4H11N.ClH/c1-3-5-4-2;/h5H,3-4H2,1-2H3;1H/i5+1
• InChIKey: HDITUCONWLWUJR-LJJZSEGWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: diethylamine hydrochloride
• IUPAC Traditional name: diethylamine hydrochloride
• Synonyms: Diethylamine-15N hydrochloride; 二乙胺-15N 盐酸盐

Database IDs

• CAS Number: 262601-45-6
• MDL Number: MFCD00084207
• PubChem SID: 162231333; 24872427
• PubChem CID: 16213412

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: 227-230 °C(lit.)
• Mass Shift: M+1

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 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: 98 atom % 15N
• Mol. Weight: mol wt 110.59 by atom % calculation
• Linear Formula: (C2H5)215NH · HCl

DETAILS

Sigma Aldrich - 488801

Packaging
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.