Ultraviolet absorbent UV-1084 - ≥98% , CAS No.14516-71-3

CAS: 14516-71-3 Cat. No.: U350951 Fórmula: C₃₂H₅₁NNiO₂S Peso molecular: 572.52 Número EC: 238-523-3 PubChem CID: 84486

CALIDAD & PUREZA ≥98%

Synonyms

SCHEMBL543515 | FT-0697691 | Nickel, (1-butanamine)[[2,2'-(thio-.kappa.S)bis[4-(1,1,3,3-tetramethylbutyl)phenolato-.kappa.O]](2-)]- | DTXSID9065780 | Nickel, (1-butanamine)((2,2'-(thio-kappaS)bis(4-(1,1,3,3-tetramethylbutyl)phenolato-kappaO))(2-))- | (But

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

SCHEMBL543515 | FT-0697691 | Nickel, (1-butanamine)[[2,2'-(thio-.kappa.S)bis[4-(1,1,3,3-tetramethylbutyl)phenolato-.kappa.O]](2-)]- | DTXSID9065780 | Nickel, (1-butanamine)((2,2'-(thio-kappaS)bis(4-(1,1,3,3-tetramethylbutyl)phenolato-kappaO))(2-))- | (But

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488186253

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488186253

Sonrisas canónicas

CCCCN.CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)[O-])SC2=C(C=CC(=C2)C(C)(C)CC(C)(C)C)[O-].[Ni+2]

IUPAC Name

butan-1-amine;nickel(2+);2-[2-oxido-5-(2,4,4-trimethylpentan-2-yl)phenyl]sulfanyl-4-(2,4,4-trimethylpentan-2-yl)phenolate

InChIKey

DPLLDVMBMPQDCO-UHFFFAOYSA-L

INCHI

1S/C28H42O2S.C4H11N.Ni/c1-25(2,3)17-27(7,8)19-11-13-21(29)23(15-19)31-24-16-20(12-14-22(24)30)28(9,10)18-26(4,5)6;1-2-3-4-5;/h11-16,29-30H,17-18H2,1-10H3;2-5H2,1H3;/q;;+2/p-2

Isómeros SMILES

CCCCN.CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)[O-])SC2=C(C=CC(=C2)C(C)(C)CC(C)(C)C)[O-].[Ni+2]

PubChem CID

84486

Peso molecular

572.52

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Clase Organonitrogen compounds
      • Subclass Amines
        • Level5 Primary amines
          • Level6 Monoalkylamines

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Clase: Organonitrogen compounds
• Subclass: Amines
• Intermediate Tree Nodes: Primary amines
• Direct Parent: Monoalkylamines
• Alternative Parents: Organopnictogen compounds Organic salts Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Organopnictogen compound - Hydrocarbon derivative - Organic salt - Primary aliphatic amine - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as monoalkylamines. These are organic compounds containing an primary aliphatic amine group.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Punto de fusión (°C): 245-280° C
• Peso molecular: 572.500 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 571.299 Da
• Monoisotopic Mass: 571.299 Da
• Topological Polar Surface Area: 97.400 Ų
• Heavy Atom Count: 37
• Formal Charge: 0
• Complexity: 532.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

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