2-amino-N-(3-methoxypropyl)acetamide hydrochloride

• ChemBase ID: 49644
• Molecular Formular: C6H15ClN2O2
• Molecular Mass: 182.6485
• Monoisotopic Mass: 182.08220541
• SMILES: C(=O)(NCCCOC)CN.Cl
• Canonical SMILES: COCCCNC(=O)CN.Cl
• InChI: InChI=1S/C6H14N2O2.ClH/c1-10-4-2-3-8-6(9)5-7;/h2-5,7H2,1H3,(H,8,9);1H
• InChIKey: DXPJXTJDJWQYKO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-(3-methoxypropyl)acetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-(3-methoxypropyl)acetamide hydrochloride
• Synonyms: 2-Amino-N-(3-methoxypropyl)acetamide hydrochloride

Database IDs

• MDL Number: MFCD13562593
• PubChem SID: 162054407
• PubChem CID: 53409066

CALCULATED PROPERTIES

• Acid pKa: 15.830876
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.210808
• LogD (pH = 7.4): -2.5276465
• Log P: -1.7177578
• Molar Refractivity: 38.6312 cm^3
• Polarizability: 15.233851 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false