(2,2-diethoxyethyl)diethylamine

• ChemBase ID: 150170
• Molecular Formular: C10H23NO2
• Molecular Mass: 189.29512
• Monoisotopic Mass: 189.17287898
• SMILES: CCN(CC)CC(OCC)OCC
• Canonical SMILES: CCOC(CN(CC)CC)OCC
• InChI: InChI=1S/C10H23NO2/c1-5-11(6-2)9-10(12-7-3)13-8-4/h10H,5-9H2,1-4H3
• InChIKey: HNFUIXOBWCFVAJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-diethoxyethyl)diethylamine
• IUPAC Traditional name: (2,2-diethoxyethyl)diethylamine
• Synonyms: 2,2-Diethoxytriethylamine; (Diethylamino)acetaldehyde diethyl acetal; (2,2-diethoxyethyl)diethylamine; 2,2-二乙氧基三乙胺; 二乙氨基乙醛缩二乙醇

Database IDs

• CAS Number: 3616-57-7
• EC Number: 222-801-6
• MDL Number: MFCD00009234
• PubChem SID: 162244331
• PubChem CID: 77164

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.1828963
• LogD (pH = 7.4): 0.5195072
• Log P: 1.8493283
• Molar Refractivity: 55.8071 cm^3
• Polarizability: 22.057634 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 194-195 °C(lit.)
• Flash Point: 149 °F; 65 °C
• Density: 0.85 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.4189(lit.)
• Hydrophobicity(logP): 1.875

Safety Information

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

Product Information

• Purity: 95%; 99%
• Linear Formula: (C2H5)2NCH2CH(OC2H5)2

DETAILS

Sigma Aldrich - D85802

Packaging
25 g in glass bottle