2-amino-N-methylacetamide hydrochloride

• ChemBase ID: 49217
• Molecular Formular: C3H9ClN2O
• Molecular Mass: 124.56936
• Monoisotopic Mass: 124.0403406
• SMILES: C(=O)(NC)CN.Cl
• Canonical SMILES: CNC(=O)CN.Cl
• InChI: InChI=1S/C3H8N2O.ClH/c1-5-3(6)2-4;/h2,4H2,1H3,(H,5,6);1H
• InChIKey: ZYZNZBKTJDYJKQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-methylacetamide hydrochloride
• IUPAC Traditional name: 2-amino-N-methylacetamide hydrochloride
• Synonyms: 2-Amino-N-methylacetamide hydrochloride

Database IDs

• CAS Number: 49755-94-4
• MDL Number: MFCD00153440
• PubChem SID: 162053980
• PubChem CID: 13842202

CALCULATED PROPERTIES

• Acid pKa: 16.075876
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.224019
• LogD (pH = 7.4): -2.5408998
• Log P: -1.7307421
• Molar Refractivity: 22.7223 cm^3
• Polarizability: 9.0116005 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.605

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Salt Data: HCl