2-[(2-aminoethyl)amino]acetic acid hydrochloride

• ChemBase ID: 289911
• Molecular Formular: C4H11ClN2O2
• Molecular Mass: 154.59534
• Monoisotopic Mass: 154.05090528
• SMILES: O=C(O)CNCCN.Cl
• Canonical SMILES: NCCNCC(=O)O.Cl
• InChI: InChI=1S/C4H10N2O2.ClH/c5-1-2-6-3-4(7)8;/h6H,1-3,5H2,(H,7,8);1H
• InChIKey: AOQYIRCFPBPZMA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-aminoethyl)amino]acetic acid hydrochloride
• IUPAC Traditional name: [(2-aminoethyl)amino]acetic acid hydrochloride
• Synonyms: 2-((2-Aminoethyl)amino)acetic acid hydrochloride

Database IDs

• CAS Number: 24123-05-5
• PubChem SID: 180675442
• PubChem CID: 21978122

CALCULATED PROPERTIES

• Acid pKa: 2.168573
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -5.604681
• LogD (pH = 7.4): -4.1374755
• Log P: -3.9699306
• Molar Refractivity: 28.7278 cm^3
• Polarizability: 11.706662 Å^3
• Polar Surface Area: 75.35 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%