4-Acetamidobutyric acid

• CAS: 3025-96-5
• Catalog Number: ACM3025965
• Category: Other Products
• Molecular Weight: 145.16
• Molecular Formula: C6H11NO3
• Synonyms: Acetyl-γ-aminobutyric acid
• IUPAC Name: 4-Acetamidobutanoic acid
• Canonical SMILES: CC(=O)NCCCC(=O)O
• InChI: InChI=1S/C6H11NO3/c1-5(8)7-4-2-3-6(9)10/h2-4H2,1H3,(H,7,8)(H,9,10)
• InChI Key: UZTFMUBKZQVKLK-UHFFFAOYSA-N
• Boiling Point: 264.26 °C
• Melting Point: 128-131 °C
• Flash Point: 199 °C
• Density: 1.2511 g/cm³
• Appearance: Solid
• Storage: 2-8 °C
• Complexity: 133
• EC Number: 221-186-1
• Exact Mass: 145.07389321
• Hazard Statements: Xi:Irritant
• H-Bond Acceptor: 3
• H-Bond Donor: 2
• Monoisotopic Mass: 145.07389321
• pKa: 4.65±0.10(Predicted)
• Refractive Index: 1.4772
• Safety Description: S26-S37/39
• Topological Polar Surface Area: 66.4 Ų