2-(diethylamino)ethan-1-ol hydrochloride

• ChemBase ID: 107769
• Molecular Formular: C6H16ClNO
• Molecular Mass: 153.65034
• Monoisotopic Mass: 153.09204182
• SMILES: Cl.CCN(CC)CCO
• Canonical SMILES: OCCN(CC)CC.Cl
• InChI: InChI=1S/C6H15NO.ClH/c1-3-7(4-2)5-6-8;/h8H,3-6H2,1-2H3;1H
• InChIKey: DBQUKJMNGUJRFI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(diethylamino)ethan-1-ol hydrochloride
• IUPAC Traditional name: DEAE hydrochloride
• Synonyms: 2-(Diethylamino)ethanol hydrochloride; N,N-Diethylethanolamine hydrochloride; 2-(Diethylamino)ethanol hydrochloride; N,N-DIETHYLAMINOETHANOL HYDROCHLORIDE; (Diethylamino)ethanol Hydrochloride; Dehydasal; Perdilaton; 2-Diethylaminoethanol Hydrochloride; 2-(二乙氨基)乙醇 盐酸盐

Database IDs

• CAS Number: 14426-20-1; 4620-71-7
• EC Number: 238-395-9
• MDL Number: MFCD00036374
• PubChem SID: 162094135
• PubChem CID: 84429

CALCULATED PROPERTIES

• H Donor: 1
• LogD (pH = 5.5): -3.180597
• LogD (pH = 7.4): -1.9247404
• Log P: 0.21368337
• Molar Refractivity: 35.7776 cm^3
• Polarizability: 13.926987 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true
• Acid pKa: 15.593297
• H Acceptors: 2

PROPERTIES

Physical Property

• Solubility: Water
• Apperance: White Solid
• Melting Point: 133-137°C

Safety Information

• Storage Warning: Hygroscopic
• RTECS: KK5553400
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95+%; 98%

DETAILS

MP Biomedicals - 05204974

MP Biomedicals Rare Chemical collection