2-chloro-N-[2-(dimethylamino)ethyl]acetamide hydrochloride

• ChemBase ID: 266516
• Molecular Formular: C6H14Cl2N2O
• Molecular Mass: 201.09416
• Monoisotopic Mass: 200.04831844
• SMILES: C(=O)(NCCN(C)C)CCl.Cl
• Canonical SMILES: ClCC(=O)NCCN(C)C.Cl
• InChI: InChI=1S/C6H13ClN2O.ClH/c1-9(2)4-3-8-6(10)5-7;/h3-5H2,1-2H3,(H,8,10);1H
• InChIKey: QTYPBANJILAMSN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N-[2-(dimethylamino)ethyl]acetamide hydrochloride
• IUPAC Traditional name: 2-chloro-N-[2-(dimethylamino)ethyl]acetamide hydrochloride
• Synonyms: 2-chloro-N-[2-(dimethylamino)ethyl]acetamide hydrochloride

Database IDs

• MDL Number: MFCD15209689
• PubChem SID: 164322426
• PubChem CID: 47002724

CALCULATED PROPERTIES

• Acid pKa: 13.35615
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.1387064
• LogD (pH = 7.4): -1.390289
• Log P: -0.25062394
• Molar Refractivity: 42.1349 cm^3
• Polarizability: 16.37998 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 122 - 124°C
• Hydrophobicity(logP): 0.18

Product Information

• Purity: 95%