(2,2-diethoxyethyl)dimethylamine

• ChemBase ID: 91058
• Molecular Formular: C8H19NO2
• Molecular Mass: 161.24196
• Monoisotopic Mass: 161.14157885
• SMILES: O(C(CN(C)C)OCC)CC
• Canonical SMILES: CCOC(CN(C)C)OCC
• InChI: InChI=1S/C8H19NO2/c1-5-10-8(11-6-2)7-9(3)4/h8H,5-7H2,1-4H3
• InChIKey: SSFAUOAQOOISRQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2,2-diethoxyethyl)dimethylamine
• IUPAC Traditional name: (2,2-diethoxyethyl)dimethylamine
• Synonyms: 2,2-Diethoxy-N,N-dimethylethanamine; 2-(Dimethylamino)acetaldehyde diethylacetal; Dimethylaminoacetaldehyde diethyl acetal; 2,2-Diethoxy-N,N-dimethylethylamine; (Dimethylamino)acetaldehyde diethyl acetal; 2,2-Diethoxy-N,N-dimethylethanamine; 二甲氨基乙醛缩二乙醇; 2,2-二乙氧基-N,N-二甲基乙胺

Database IDs

• CAS Number: 3616-56-6
• EC Number: 222-800-0
• MDL Number: MFCD00009232
• Beilstein Number: 1739149
• PubChem SID: 24893424; 162077762
• PubChem CID: 77163

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.4622971
• LogD (pH = 7.4): 0.31127676
• Log P: 1.1357124
• Molar Refractivity: 46.3099 cm^3
• Polarizability: 18.374706 Å^3
• Polar Surface Area: 21.7 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 164-166°C; 170 °C(lit.); 64-66°C
• Flash Point: 113 °F; 45 °C; 45°C(113°F)
• Density: 0.876; 0.883 g/mL at 25 °C(lit.)
• Refractive Index: 1.4115; n20/D 1.411(lit.)

Safety Information

• Storage Warning: Irritant
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-36/37/38
• Safety Statements: 16-26-36/37/39; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280G-P305+P351+P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: 95%; 95+%; 97%
• Linear Formula: (C2H5O)2CHCH2N(CH3)2

DETAILS

Sigma Aldrich - D138800

Packaging
25 g in glass bottle