methyl 2-(dimethylamino)acetate

• ChemBase ID: 302259
• Molecular Formular: C5H11NO2
• Molecular Mass: 117.14634
• Monoisotopic Mass: 117.0789786
• SMILES: CN(C)CC(=O)OC
• Canonical SMILES: COC(=O)CN(C)C
• InChI: InChI=1S/C5H11NO2/c1-6(2)4-5(7)8-3/h4H2,1-3H3
• InChIKey: LRZFEBJUJIQVDQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-(dimethylamino)acetate
• IUPAC Traditional name: methyl 2-(dimethylamino)acetate
• Synonyms: (Dimethylamino)acetic acid methyl ester; Methyl (dimethylamino)acetate; N,N-Dimethylglycine methyl ester; N,N-二甲基甘氨酸甲酯

Database IDs

• CAS Number: 7148-06-3
• EC Number: 000-000-0
• MDL Number: MFCD00059303
• Beilstein Number: 1744788

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.2969975
• LogD (pH = 7.4): -0.24685512
• Log P: -0.18595317
• Molar Refractivity: 30.8418 cm^3
• Polarizability: 12.24825 Å^3
• Polar Surface Area: 29.54 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 134-135°C
• Flash Point: 38°C(100°F)
• Density: 0.950
• Refractive Index: 1.4120

Safety Information

• Storage Warning: Air Sensitive
• RTECS: MC0011000
• European Hazard Symbols: Irritant (Xi)
• UN Number: UN3272
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-36/37/38
• Safety Statements: 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS07
• GHS Hazard statements: H226-H315-H319-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 98%