pentanamide

• ChemBase ID: 111531
• Molecular Formular: C5H11NO
• Molecular Mass: 101.14694
• Monoisotopic Mass: 101.08406398
• SMILES: CCCCC(=O)N
• Canonical SMILES: CCCCC(=O)N
• InChI: InChI=1S/C5H11NO/c1-2-3-4-5(6)7/h2-4H2,1H3,(H2,6,7)
• InChIKey: IPWFJLQDVFKJDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: pentanamide
• IUPAC Traditional name: pentanamide
• Synonyms: n-VALERAMIDE; Pentanamide; Valeramide; pentanamide; 戊胺

Database IDs

• CAS Number: 626-97-1
• EC Number: 210-974-0
• MDL Number: MFCD00041895
• Beilstein Number: 1740792
• PubChem SID: 162098114
• PubChem CID: 12298

CALCULATED PROPERTIES

• Acid pKa: 17.03006
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.55938476
• LogD (pH = 7.4): 0.5593848
• Log P: 0.5593848
• Molar Refractivity: 28.2948 cm^3
• Polarizability: 11.1500025 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 102°C; 102-104°C; 104 - 106°C
• Hydrophobicity(logP): 0.473

Safety Information

• European Hazard Symbols: Corrosive (C)
• Risk Statements: R:34
• Safety Statements: S:26-27/28-36/37/39-46-64
• TSCA Listed: 是

Product Information

• Purity: 95%; 97%

DETAILS

MP Biomedicals - 05219717

MP Biomedicals Rare Chemical collection