N-ethyl-2-(methylamino)acetamide hydrochloride

• ChemBase ID: 43863
• Molecular Formular: C5H13ClN2O
• Molecular Mass: 152.62252
• Monoisotopic Mass: 152.07164073
• SMILES: C(=O)(NCC)CNC.Cl
• Canonical SMILES: CNCC(=O)NCC.Cl
• InChI: InChI=1S/C5H12N2O.ClH/c1-3-7-5(8)4-6-2;/h6H,3-4H2,1-2H3,(H,7,8);1H
• InChIKey: GINYLHBWCLZCPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-2-(methylamino)acetamide hydrochloride
• IUPAC Traditional name: N-ethyl-2-(methylamino)acetamide hydrochloride
• Synonyms: N-Ethyl-2-(methylamino)acetamide hydrochloride; N-Ethyl-N2-methylglycinamide hydrochloride

Database IDs

• MDL Number: MFCD08060121
• PubChem SID: 162048626
• PubChem CID: 18526161

CALCULATED PROPERTIES

• Acid pKa: 16.13374
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.912543
• LogD (pH = 7.4): -2.3560941
• Log P: -0.94135374
• Molar Refractivity: 32.2455 cm^3
• Polarizability: 12.678941 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 154 - 156°C
• Hydrophobicity(logP): -0.735

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: >95%; 95%