2-chloro-N,N-bis(2-methoxyethyl)acetamide

• ChemBase ID: 117779
• Molecular Formular: C8H16ClNO3
• Molecular Mass: 209.67054
• Monoisotopic Mass: 209.08187106
• SMILES: C(=O)(N(CCOC)CCOC)CCl
• Canonical SMILES: COCCN(C(=O)CCl)CCOC
• InChI: InChI=1S/C8H16ClNO3/c1-12-5-3-10(4-6-13-2)8(11)7-9/h3-7H2,1-2H3
• InChIKey: GCGAPKCNIQGYQG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-N,N-bis(2-methoxyethyl)acetamide
• IUPAC Traditional name: 2-chloro-N,N-bis(2-methoxyethyl)acetamide
• Synonyms: 2-chloro-N,N-bis(2-methoxyethyl)acetamide

Database IDs

• MDL Number: MFCD03964600
• PubChem SID: 162102692
• PubChem CID: 2384371

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.1395434
• LogD (pH = 7.4): -0.1395434
• Log P: -0.1395434
• Molar Refractivity: 51.0995 cm^3
• Polarizability: 19.989557 Å^3
• Polar Surface Area: 38.77 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 0.0040

Product Information

• Purity: 95+%