dimethylamine; dimethylcarbamic acid

• ChemBase ID: 146278
• Molecular Formular: C5H14N2O2
• Molecular Mass: 134.17686
• Monoisotopic Mass: 134.1055277
• SMILES: CNC.CN(C)C(=O)O
• Canonical SMILES: CN(C(=O)O)C.CNC
• InChI: InChI=1S/C3H7NO2.C2H7N/c1-4(2)3(5)6;1-3-2/h1-2H3,(H,5,6);3H,1-2H3
• InChIKey: JIYXHCMRGZVYMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethylamine; dimethylcarbamic acid
• IUPAC Traditional name: carbamic acid, dimethyl-; dimethylamine
• Synonyms: N-Methylmethanamine dimethylcarbamate; Dimcarb; Dimethylamine carbon dioxide complex; Dimethylammonium dimethylcarbamate; 二甲胺二氧化碳络合物; 二甲基胺 N,N-二甲氨基甲酸酯

Database IDs

• CAS Number: 4137-10-4
• MDL Number: MFCD00029888
• Beilstein Number: 4531667
• PubChem SID: 24865564; 162240477; 24864582
• PubChem CID: 165187

CALCULATED PROPERTIES

• Acid pKa: 4.3420577
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2948248
• LogD (pH = 7.4): -3.041517
• Log P: -0.109539114
• Molar Refractivity: 21.1138 cm^3
• Polarizability: 8.003333 Å^3
• Polar Surface Area: 40.54 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 60-61 °C(lit.)
• Flash Point: 150.8 °F; 66 °C
• Density: 1.05 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.454(lit.); n20/D 1.455

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 10-36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• Storage Temperature: 2-8°C

Product Information

• Grade: purum
• Linear Formula: (CH3)2NH · (CH3)2NCOOH

DETAILS

Sigma Aldrich - 408395

Packaging
25 mL in glass bottle
Application
Ionic liquid primarily used as a solvent.
• For synthesis of calixarene-based ketocyanine fluorophores1
• Distillation extraction of tannins from plant materials2
• Electrodeposition of silver3 or of lead on glassy carbon and mercury film electrodes4
• Synthesis of Ag and Au nanostructures5
• Reusable reaction medium for synthesis of monoarylidene cyclopentanones6

Sigma Aldrich - 39425

Other Notes
Liquid form of the gaseous dimethylamine; it can be distilled (b.p. 60-61)7,8
Application
Ionic liquid primarily used as a solvent.
• For synthesis of calixarene-based ketocyanine fluorophores1
• Distillation extraction of tannins from plant materials2
• Electrodeposition of silver3 or of lead on glassy carbon and mercury film electrodes4
• Synthesis of Ag and Au nanostructures5
• Reusable reaction medium for synthesis of monoarylidene cyclopentanones6