N-ethyl-N-methylcarbamoyl chloride

• ChemBase ID: 168683
• Molecular Formular: C4H8ClNO
• Molecular Mass: 121.56542
• Monoisotopic Mass: 121.02944156
• SMILES: ClC(=O)N(CC)C
• Canonical SMILES: CN(C(=O)Cl)CC
• InChI: InChI=1S/C4H8ClNO/c1-3-6(2)4(5)7/h3H2,1-2H3
• InChIKey: XZVYDRLPXWFRIS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-methylcarbamoyl chloride
• IUPAC Traditional name: N-ethyl-N-methylcarbamoyl chloride
• Synonyms: N-Ethyl-N-methylcarbamoyl Chloride

Database IDs

• CAS Number: 42252-34-6
• PubChem SID: 162262815
• PubChem CID: 11240471

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.78059846
• LogD (pH = 7.4): 0.78059846
• Log P: 0.78059846
• Molar Refractivity: 29.7209 cm^3
• Polarizability: 11.240414 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Chloroform
• Apperance: Pale Yellow Oil

Safety Information

• Storage Condition: Refrigerator, Under Inert Atmosphere