sodium 2-(dimethylamino)acetate

• ChemBase ID: 287363
• Molecular Formular: C4H8NNaO2
• Molecular Mass: 125.10159
• Monoisotopic Mass: 125.04527278
• SMILES: O=C([O-])CN(C)C.[Na+]
• Canonical SMILES: CN(CC(=O)[O-])C.[Na+]
• InChI: InChI=1S/C4H9NO2.Na/c1-5(2)3-4(6)7;/h3H2,1-2H3,(H,6,7);/q;+1/p-1
• InChIKey: QGPBIYNLYDWLQE-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: sodium 2-(dimethylamino)acetate
• IUPAC Traditional name: sodium (dimethylamino)acetate
• Synonyms: Sodium 2-(dimethylamino)acetate

Database IDs

• CAS Number: 18319-88-5
• MDL Number: MFCD00082922
• PubChem SID: 180672894
• PubChem CID: 23695761

CALCULATED PROPERTIES

• Polar Surface Area: 43.37 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• Acid pKa: 1.8808128
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -3.060791
• LogD (pH = 7.4): -3.0625443
• Log P: -3.0607824
• Molar Refractivity: 36.9098 cm^3
• Polarizability: 10.06314 Å^3

PROPERTIES

Product Information

• Purity: 95+%