2-amino-3-methoxypropanamide hydrochloride

• ChemBase ID: 244316
• Molecular Formular: C4H11ClN2O2
• Molecular Mass: 154.59534
• Monoisotopic Mass: 154.05090528
• SMILES: C(=O)(C(N)COC)N.Cl
• Canonical SMILES: COCC(C(=O)N)N.Cl
• InChI: InChI=1S/C4H10N2O2.ClH/c1-8-2-3(5)4(6)7;/h3H,2,5H2,1H3,(H2,6,7);1H
• InChIKey: BGRFAWSLDPCYIA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-methoxypropanamide hydrochloride
• IUPAC Traditional name: 2-amino-3-methoxypropanamide hydrochloride
• Synonyms: 2-amino-3-methoxypropanamide hydrochloride

Database IDs

• MDL Number: MFCD22628503
• PubChem SID: 164300226
• PubChem CID: 71757478

CALCULATED PROPERTIES

• Acid pKa: 16.105019
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -3.9742393
• LogD (pH = 7.4): -2.2977867
• Log P: -1.7894374
• Molar Refractivity: 28.6144 cm^3
• Polarizability: 11.578708 Å^3
• Polar Surface Area: 78.34 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 169 - 171°C
• Hydrophobicity(logP): -1.901

Product Information

• Purity: 95%