N,N-dimethylbutanamide

• ChemBase ID: 301990
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: CCCC(=O)N(C)C
• Canonical SMILES: CCCC(=O)N(C)C
• InChI: InChI=1S/C6H13NO/c1-4-5-6(8)7(2)3/h4-5H2,1-3H3
• InChIKey: VIJUZNJJLALGNJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N,N-dimethylbutanamide
• IUPAC Traditional name: butanamide, N,N-dimethyl-
• Synonyms: N,N-Dimethylbutyramide; N,N-二甲基丁酰胺

Database IDs

• CAS Number: 760-79-2
• MDL Number: MFCD00015222
• Beilstein Number: 1742172

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.56216824
• LogD (pH = 7.4): 0.5621683
• Log P: 0.5621683
• Molar Refractivity: 33.4872 cm^3
• Polarizability: 12.988816 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 80-82°C/15mm
• Refractive Index: 1.4425

Safety Information

• RTECS: ES4319000
• TSCA Listed: 是

Product Information

• Purity: 98%