3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione

• ChemBase ID: 147390
• Molecular Formular: C26H48N2O2
• Molecular Mass: 420.67152
• Monoisotopic Mass: 420.37157879
• SMILES: CCCCCCCCCCCCC1CC(=O)N(C1=O)C1CC(N(C(C1)(C)C)C)(C)C
• Canonical SMILES: CCCCCCCCCCCCC1CC(=O)N(C1=O)C1CC(C)(C)N(C(C1)(C)C)C
• InChI: InChI=1S/C26H48N2O2/c1-7-8-9-10-11-12-13-14-15-16-17-21-18-23(29)28(24(21)30)22-19-25(2,3)27(6)26(4,5)20-22/h21-22H,7-20H2,1-6H3
• InChIKey: SAEZGDDJKSBNPT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
• IUPAC Traditional name: 3-dodecyl-1-(1,2,2,6,6-pentamethylpiperidin-4-yl)pyrrolidine-2,5-dione
• Synonyms: 2-Dodecyl-N-(1,2,2,6,6-pentamethyl-4-piperidinyl)succinimide; 2-十二基-N-(1,2,2,6,6-五甲基-4-哌啶基)琥珀酰亚胺

Database IDs

• CAS Number: 106917-30-0
• EC Number: 411-920-0
• MDL Number: MFCD00192119
• PubChem SID: 24865844; 162241578
• PubChem CID: 86098

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.7530262
• LogD (pH = 7.4): 4.1694717
• Log P: 6.0845556
• Molar Refractivity: 125.9287 cm^3
• Polarizability: 49.977318 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 12
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Boiling Point: 220 °C/0.7 mmHg(lit.)
• Flash Point: 110 °C; 230 °F
• Density: 0.963 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.488(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Nature polluting (N); Toxic (T)
• UN Number: 2922
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 1
• Risk Statements: 22-23-35-48/22-50/53
• Safety Statements: 26-28-36/37/39-45-60-61
• GHS Pictograms: GHS05; GHS06; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H314-H331-H373-H410
• GHS Precautionary statements: P261-P273-P280-P305 + P351 + P338-P310-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 2922 8/PG 1

Product Information

• Grade: technical grade
• Empirical Formula (Hill Notation): C26H48N2O2

DETAILS

Sigma Aldrich - 413186

Packaging
50 mL in glass bottle