N-methyl-2-(methylamino)acetamide hydrochloride

• ChemBase ID: 49219
• Molecular Formular: C4H11ClN2O
• Molecular Mass: 138.59594
• Monoisotopic Mass: 138.05599066
• SMILES: C(=O)(NC)CNC.Cl
• Canonical SMILES: CNCC(=O)NC.Cl
• InChI: InChI=1S/C4H10N2O.ClH/c1-5-3-4(7)6-2;/h5H,3H2,1-2H3,(H,6,7);1H
• InChIKey: BMMUPSUKILVEFA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-(methylamino)acetamide hydrochloride
• IUPAC Traditional name: N-methyl-2-(methylamino)acetamide hydrochloride
• Synonyms: N-Methyl-2-(methylamino)acetamide hydrochloride

Database IDs

• CAS Number: 44565-47-1
• MDL Number: MFCD07290085
• PubChem SID: 162053982
• PubChem CID: 16246823

CALCULATED PROPERTIES

• Acid pKa: 16.172451
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.269551
• LogD (pH = 7.4): -2.713311
• Log P: -1.2981617
• Molar Refractivity: 27.4969 cm^3
• Polarizability: 10.84336 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 233 - 235°C
• Hydrophobicity(logP): -1.264

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Salt Data: HCl