N-ethyl-N-(propan-2-yl)carbamoyl chloride

• ChemBase ID: 262256
• Molecular Formular: C6H12ClNO
• Molecular Mass: 149.61858
• Monoisotopic Mass: 149.06074169
• SMILES: C(=O)(N(C(C)C)CC)Cl
• Canonical SMILES: CCN(C(=O)Cl)C(C)C
• InChI: InChI=1S/C6H12ClNO/c1-4-8(5(2)3)6(7)9/h5H,4H2,1-3H3
• InChIKey: SVLNCPUVMJGVFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-(propan-2-yl)carbamoyl chloride
• IUPAC Traditional name: N-ethyl-N-isopropylcarbamoyl chloride
• Synonyms: carbamoyl chloride

Database IDs

• MDL Number: MFCD22056437
• PubChem SID: 164318166
• PubChem CID: 21185221

CALCULATED PROPERTIES

• Molar Refractivity: 38.8883 cm^3
• Polarizability: 14.886327 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5539814
• LogD (pH = 7.4): 1.5539814
• Log P: 1.5539814

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.56

Product Information

• Purity: 95%