2-[(2-methoxyethyl)amino]propanamide hydrochloride

• ChemBase ID: 271117
• Molecular Formular: C6H15ClN2O2
• Molecular Mass: 182.6485
• Monoisotopic Mass: 182.08220541
• SMILES: C(=O)(C(NCCOC)C)N.Cl
• Canonical SMILES: CC(C(=O)N)NCCOC.Cl
• InChI: InChI=1S/C6H14N2O2.ClH/c1-5(6(7)9)8-3-4-10-2;/h5,8H,3-4H2,1-2H3,(H2,7,9);1H
• InChIKey: UMPFPOKWRIDNPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-methoxyethyl)amino]propanamide hydrochloride
• IUPAC Traditional name: 2-[(2-methoxyethyl)amino]propanamide hydrochloride
• Synonyms: 2-[(2-methoxyethyl)amino]propanamide hydrochloride

Database IDs

• MDL Number: MFCD17977076
• PubChem SID: 164327027
• PubChem CID: 50988597

CALCULATED PROPERTIES

• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 16.34609
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.6650095
• LogD (pH = 7.4): -1.9474739
• Log P: -1.000049
• Molar Refractivity: 38.1376 cm^3
• Polarizability: 15.233851 Å^3

PROPERTIES

Physical Property

• Melting Point: 139 - 141°C
• Hydrophobicity(logP): -0.931

Product Information

• Purity: 95%