2-(ethylamino)acetic acid

• ChemBase ID: 145955
• Molecular Formular: C4H9NO2
• Molecular Mass: 103.11976
• Monoisotopic Mass: 103.06332853
• SMILES: CCNCC(=O)O
• Canonical SMILES: CCNCC(=O)O
• InChI: InChI=1S/C4H9NO2/c1-2-5-3-4(6)7/h5H,2-3H2,1H3,(H,6,7)
• InChIKey: YPIGGYHFMKJNKV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethylamino)acetic acid
• IUPAC Traditional name: N-ethylglycine
• Synonyms: N-Ethylglycine; N-乙甘胺酸

Database IDs

• CAS Number: 627-01-0
• MDL Number: MFCD00037794
• PubChem SID: 162240155; 24870255
• PubChem CID: 316542

CALCULATED PROPERTIES

• Acid pKa: 2.1954262
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.8295527
• LogD (pH = 7.4): -2.8297446
• Log P: -2.8294406
• Molar Refractivity: 25.5266 cm^3
• Polarizability: 10.177998 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 186 °C (dec.)(lit.)

Safety Information

• German water hazard class: 3

Product Information

• Purity: 98%
• Linear Formula: C2H5NHCH2CO2H

DETAILS

Sigma Aldrich - 465216

Packaging
1 g in glass bottle