N,N-bis(butan-2-yl)-2-chloroacetamide

• ChemBase ID: 251540
• Molecular Formular: C10H20ClNO
• Molecular Mass: 205.7249
• Monoisotopic Mass: 205.12334195
• SMILES: N(C(=O)CCl)(C(CC)C)C(CC)C
• Canonical SMILES: CCC(N(C(=O)CCl)C(CC)C)C
• InChI: InChI=1S/C10H20ClNO/c1-5-8(3)12(9(4)6-2)10(13)7-11/h8-9H,5-7H2,1-4H3
• InChIKey: OATNNNLJLRYGDZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-bis(butan-2-yl)-2-chloroacetamide
• IUPAC Traditional name: 2-chloro-N,N-bis(sec-butyl)acetamide
• Synonyms: N,N-di-sec-butyl-2-chloroacetamide

Database IDs

• CAS Number: 32322-33-1
• MDL Number: MFCD03389886
• PubChem SID: 164307450
• PubChem CID: 4159787

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5462184
• LogD (pH = 7.4): 2.5462184
• Log P: 2.5462184
• Molar Refractivity: 56.3953 cm^3
• Polarizability: 22.182611 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 245 - 247°C
• Hydrophobicity(logP): 2.545

Product Information

• Purity: 95%