1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione

• ChemBase ID: 147031
• Molecular Formular: C27H48N2O3
• Molecular Mass: 448.68162
• Monoisotopic Mass: 448.36649341
• SMILES: CCCCCCCCCCCCC1CC(=O)N(C1=O)C1CC(N(C(C1)(C)C)C(=O)C)(C)C
• Canonical SMILES: CCCCCCCCCCCCC1CC(=O)N(C1=O)C1CC(C)(C)N(C(C1)(C)C)C(=O)C
• InChI: InChI=1S/C27H48N2O3/c1-7-8-9-10-11-12-13-14-15-16-17-22-18-24(31)28(25(22)32)23-19-26(3,4)29(21(2)30)27(5,6)20-23/h22-23H,7-20H2,1-6H3
• InChIKey: VXTRPEFUPWORNH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione
• IUPAC Traditional name: 1-(1-acetyl-2,2,6,6-tetramethylpiperidin-4-yl)-3-dodecylpyrrolidine-2,5-dione
• Synonyms: N-(1-Acetyl-2,2,6,6-tetramethyl-4-piperidinyl)-2-dodecylsuccinimide; N-(1-乙酰基-2,2,6,6-四甲基-4-哌啶基)-2-十二基琥珀酰亚胺

Database IDs

• CAS Number: 106917-31-1
• MDL Number: MFCD00191707
• PubChem SID: 24865845; 162241223
• PubChem CID: 3034263

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 5.311446
• LogD (pH = 7.4): 5.31145
• Log P: 5.31145
• Molar Refractivity: 130.1999 cm^3
• Polarizability: 51.487904 Å^3
• Polar Surface Area: 57.69 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 222 °C(lit.)
• Flash Point: 113 °C; 235.4 °F
• Density: 0.977 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.495(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 3267
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 34
• Safety Statements: 23-26-36/37/39-45
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H317-H410
• GHS Precautionary statements: P273-P280-P501
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 3267 8/PG 2

Product Information

• Empirical Formula (Hill Notation): C27H48N2O3

DETAILS

Sigma Aldrich - 413194

Packaging
50 mL in glass bottle