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

• ChemBase ID: 48758
• Molecular Formular: C7H17ClN2O
• Molecular Mass: 180.67568
• Monoisotopic Mass: 180.10294085
• SMILES: C(=O)(N(CC)CC)CNC.Cl
• Canonical SMILES: CNCC(=O)N(CC)CC.Cl
• InChI: InChI=1S/C7H16N2O.ClH/c1-4-9(5-2)7(10)6-8-3;/h8H,4-6H2,1-3H3;1H
• InChIKey: BAXWKYMQXFJPQI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-diethyl-2-(methylamino)acetamide hydrochloride
• IUPAC Traditional name: N,N-diethyl-2-(methylamino)acetamide hydrochloride
• Synonyms: N,N-Diethyl-2-(methylamino)acetamide hydrochloride

Database IDs

• CAS Number: 44897-15-6
• MDL Number: MFCD07308365
• PubChem SID: 162053521
• PubChem CID: 42917048

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.3367834
• LogD (pH = 7.4): -1.7853291
• Log P: -0.36086974
• Molar Refractivity: 41.8908 cm^3
• Polarizability: 16.35698 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.224

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Salt Data: HCl