2,2-dimethoxyethan-1-amine

• ChemBase ID: 89235
• Molecular Formular: C4H11NO2
• Molecular Mass: 105.13564
• Monoisotopic Mass: 105.0789786
• SMILES: NCC(OC)OC
• Canonical SMILES: NCC(OC)OC
• InChI: InChI=1S/C4H11NO2/c1-6-4(3-5)7-2/h4H,3,5H2,1-2H3
• InChIKey: QKWWDTYDYOFRJL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2-dimethoxyethan-1-amine
• IUPAC Traditional name: 2,2-dimethoxyethanamine
• Synonyms: Aminoacetaldehyde dimethyl acetal; 2,2-dimethoxyethanamine; DIMETHYLAMINOACETAL; 2,2-Dimethoxyethylamine; 2-Aminoacetaldehyde dimethyl acetal 99%; 2,2-Dimethoxyethylamine; 2,2-二甲氧基乙胺; 氨基乙醛缩二甲醇

Database IDs

• CAS Number: 22483-09-6
• EC Number: 245-026-5
• MDL Number: MFCD00008135
• Beilstein Number: 741868
• PubChem SID: 24847473; 162076117
• PubChem CID: 89728

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -3.2094364
• LogD (pH = 7.4): -1.7257233
• Log P: -0.3935318
• Molar Refractivity: 26.7434 cm^3
• Polarizability: 11.027312 Å^3
• Polar Surface Area: 44.48 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 38 - 40°C
• Boiling Point: 135-138°C; 135-139 °C/95 mmHg(lit.); 135-139°C/95mm
• Flash Point: 111.2 °F; 41°C(106°F); 44 °C; 44°C
• Density: 0.965; 0.965 g/mL at 25 °C(lit.); 0.973
• Refractive Index: 1.4170; n20/D 1.417; n20/D 1.417(lit.)
• Hydrophobicity(logP): -1.139

Safety Information

• Storage Warning: Flammable/Corrosive
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 1993; UN2733
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-34; R:36/37/38
• Safety Statements: 26-36/37/39-45; 7-20-26-33-36/37/39-43-45; S:20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314; H314-H318-H226
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: ≥97.0% (GC); 95%; 97%; 98%; 99%
• Grade: purum
• Impurities: ≤2% water
• Linear Formula: NH2CH2CH(OCH3)2

DETAILS

MP Biomedicals - 05209174

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 121967

Application
Used in an efficient 3-step synthesis of a bicyclic proline analog from L-ascorbic acid.1 Also used in a 3-component reaction catalyzed by MgClO4 leading to α-aminophosphonates.2
Packaging
25, 100, 500 mL in glass bottle