2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-[5,8,12-tris({bis[butyl(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl})-1,5,8,12-tetraazadodecan-1-yl]-1,3,5-triazine-2,4-diamine

• ChemBase ID: 151003
• Molecular Formular: C132H250N32
• Molecular Mass: 2285.6118
• Monoisotopic Mass: 2284.05462616
• SMILES: CCCCN(c1nc(nc(n1)N(CCCC)C1CC(N(C(C1)(C)C)C)(C)C)NCCCN(CCN(CCCNc1nc(nc(n1)N(CCCC)C1CC(N(C(C1)(C)C)C)(C)C)N(CCCC)C1CC(N(C(C1)(C)C)C)(C)C)c1nc(nc(n1)N(CCCC)C1CC(N(C(C1)(C)C)C)(C)C)N(CCCC)C1CC(N(C(C1)(C)C)C)(C)C)c1nc(nc(n1)N(CCCC)C1CC(N(C(C1)(C)C)C)(C)C)N(CCCC)C1CC(N(C(C1)(C)C)C)(C)C)C1CC(N(C(C1)(C)C)C)(C)C
• Canonical SMILES: CCCCN(c1nc(nc(n1)N(C1CC(C)(C)N(C(C1)(C)C)C)CCCC)N(CCN(c1nc(nc(n1)N(C1CC(C)(C)N(C(C1)(C)C)C)CCCC)N(C1CC(C)(C)N(C(C1)(C)C)C)CCCC)CCCNc1nc(nc(n1)N(C1CC(C)(C)N(C(C1)(C)C)C)CCCC)N(C1CC(C)(C)N(C(C1)(C)C)C)CCCC)CCCNc1nc(nc(n1)N(C1CC(C)(C)N(C(C1)(C)C)C)CCCC)N(C1CC(C)(C)N(C(C1)(C)C)C)CCCC)C1CC(C)(C)N(C(C1)(C)C)C
• InChI: InChI=1S/C132H250N32/c1-49-57-71-157(97-81-117(9,10)147(41)118(11,12)82-97)109-135-105(136-110(143-109)158(72-58-50-2)98-83-119(13,14)148(42)120(15,16)84-98)133-67-65-69-155(107-139-113(161(75-61-53-5)101-89-125(25,26)151(45)126(27,28)90-101)145-114(140-107)162(76-62-54-6)102-91-127(29,30)152(46)128(31,32)92-102)79-80-156(108-141-115(163(77-63-55-7)103-93-129(33,34)153(47)130(35,36)94-103)146-116(142-108)164(78-64-56-8)104-95-131(37,38)154(48)132(39,40)96-104)70-66-68-134-106-137-111(159(73-59-51-3)99-85-121(17,18)149(43)122(19,20)86-99)144-112(138-106)160(74-60-52-4)100-87-123(21,22)150(44)124(23,24)88-100/h97-104H,49-96H2,1-48H3,(H,133,135,136,143)(H,134,137,138,144)
• InChIKey: OWXXKGVQBCBSFJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-[5,8,12-tris({bis[butyl(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl})-1,5,8,12-tetraazadodecan-1-yl]-1,3,5-triazine-2,4-diamine
• IUPAC Traditional name: 2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-[5,8,12-tris({bis[butyl(1,2,2,6,6-pentamethylpiperidin-4-yl)amino]-1,3,5-triazin-2-yl})-1,5,8,12-tetraazadodecan-1-yl]-1,3,5-triazine-2,4-diamine
• Synonyms: 1,5,8,12-Tetrakis[4,6-bis(N-butyl-N-1,2,2,6,6-pentamethyl-4-piperidylamino)-1,3,5-triazin-2-yl]-1,5,8,12-tetraazadodecane; 1,5,8,12-四[4,6-双(N-丁基-N-1,2,2,6,6-五甲基-4-哌啶基氨基)-1,3,5-三嗪-2-基]-1,5,8,12-四氮杂十二烷

Database IDs

• CAS Number: 106990-43-6
• EC Number: 401-990-0
• MDL Number: MFCD00134691
• PubChem SID: 162245162; 24878110
• PubChem CID: 163763

CALCULATED PROPERTIES

• H Acceptors: 32
• H Donor: 2
• LogD (pH = 5.5): 2.234027
• LogD (pH = 7.4): 12.950094
• Log P: 29.159767
• Molar Refractivity: 717.4454 cm^3
• Polarizability: 269.48505 Å^3
• Polar Surface Area: 237.06 Å^2
• Rotatable Bonds: 55
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Solubility: chloroform, methylene chloride, and toluene: ≥20 % (w/w) at 20 °C
• Melting Point: 146-150 °C(lit.)
• Flash Point: 275 °C; 527 °F

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 43
• Safety Statements: 26-36

Product Information

• Volatility: 0.07 wt. %
• Empirical Formula (Hill Notation): C132H250N32

DETAILS

Sigma Aldrich - 535869

Application
Antioxidant.Monomeric hindered amine UV light stabilizer for polyolefins offering low volatility and high migration resistance. Advantage over other HALS is that it enhances the color yield of pigmented polyolefin articles.