N,N-dimethyl-2-(methylamino)acetamide hydrochloride

• ChemBase ID: 48756
• Molecular Formular: C5H13ClN2O
• Molecular Mass: 152.62252
• Monoisotopic Mass: 152.07164073
• SMILES: C(=O)(N(C)C)CNC.Cl
• Canonical SMILES: CNCC(=O)N(C)C.Cl
• InChI: InChI=1S/C5H12N2O.ClH/c1-6-4-5(8)7(2)3;/h6H,4H2,1-3H3;1H
• InChIKey: RLWSIIFYGBQLKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethyl-2-(methylamino)acetamide hydrochloride
• IUPAC Traditional name: N,N-dimethyl-2-(methylamino)acetamide hydrochloride
• Synonyms: N,N-Dimethyl-2-(methylamino)acetamide hydrochloride

Database IDs

• CAS Number: 1857-20-1
• MDL Number: MFCD06795812
• PubChem SID: 162053519
• PubChem CID: 20227040

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -4.0507956
• LogD (pH = 7.4): -2.4997663
• Log P: -1.0744857
• Molar Refractivity: 32.3936 cm^3
• Polarizability: 12.678941 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false