2-(ethylamino)acetic acid hydrochloride

• ChemBase ID: 261716
• Molecular Formular: C4H10ClNO2
• Molecular Mass: 139.5807
• Monoisotopic Mass: 139.04000625
• SMILES: C(=O)(O)CNCC.Cl
• Canonical SMILES: CCNCC(=O)O.Cl
• InChI: InChI=1S/C4H9NO2.ClH/c1-2-5-3-4(6)7;/h5H,2-3H2,1H3,(H,6,7);1H
• InChIKey: GIUTUZDGHNZVIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(ethylamino)acetic acid hydrochloride
• IUPAC Traditional name: N-ethylglycine hydrochloride
• Synonyms: 2-(ethylamino)acetic acid hydrochloride

Database IDs

• MDL Number: MFCD12912960
• PubChem SID: 164317626
• PubChem CID: 19011402

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: 180 - 182°C
• Hydrophobicity(logP): -2.595

Product Information

• Purity: 95%