diSAmPAP , CAS No.2965-52-8

CAS: 2965-52-8 Cat. No.: D996029 EC 번호: 221-003-5 PubChem CID: 102352

Storage

Room temperature

Specifications

보관 조건

Room temperature

이름과 식별자

• 정식 스마일: CCN(CCOP(=O)(O)OCCN(CC)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• IUPAC Name: bis[2-[ethyl(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctylsulfonyl)amino]ethyl] hydrogen phosphate
• InChIKey: BZZAKKWGRKFWJJ-UHFFFAOYSA-N
• INCHI: 1S/C24H19F34N2O8PS2/c1-3-59(70(63,64)23(55,56)19(45,46)15(37,38)11(29,30)9(25,26)13(33,34)17(41,42)21(49,50)51)5-7-67-69(61,62)68-8-6-60(4-2)71(65,66)24(57,58)20(47,48)16(39,40)12(31,32)10(27,28)14(35,36)18(43,44)22(52,53)54/h3-8H2,1-2H3,(H,61,62)
• 이성체 SMILES: CCN(CCOP(=O)(O)OCCN(CC)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)S(=O)(=O)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
• 대체 CAS: 2965-52-8
• PubChem CID: 102352

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organohalogen compounds
    • 분류 Alkyl halides
      • Subclass Alkyl fluorides
        • Level5 Perfluoroalkyl sulfonic acid and derivatives
          • Level6 Perfluorooctane sulfonic acid and derivatives

• Kingdom: Organic compounds
• Superclass: Organohalogen compounds
• 분류: Alkyl halides
• Subclass: Alkyl fluorides
• Intermediate Tree Nodes: Perfluoroalkyl sulfonic acid and derivatives
• Direct Parent: Perfluorooctane sulfonic acid and derivatives
• Alternative Parents: Phosphoethanolamines Dialkyl phosphates Organosulfonamides Organic sulfonamides Aminosulfonyl compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Perfluorooctane sulfonic acid or derivatives - Phosphoethanolamine - Dialkyl phosphate - Organic phosphoric acid derivative - Phosphoric acid ester - Organic sulfonic acid amide - Organosulfonic acid amide - Alkyl phosphate - Aminosulfonyl compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Organonitrogen compound - Organofluoride - Organic nitrogen compound - Organosulfur compound - Organooxygen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organic oxide - Aliphatic acyclic compound
• 설명: This compound belongs to the class of organic compounds known as perfluorooctane sulfonic acid and derivatives. These are organic compounds containing an octyl chain attached to the sulfur of a sulfonic acid (or a derivative thereof), where all hydrogens of the octyl chain are replaced by fluorine atoms.
• 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

화학 및 물리적 특성

• 분자량: 1204.500 g/mol
• XLogP3: 10.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 44
• Rotatable Bond Count: 26
• Exact Mass: 1203.98 Da
• Monoisotopic Mass: 1203.98 Da
• Topological Polar Surface Area: 147.000 Ų
• Heavy Atom Count: 71
• Formal Charge: 0
• Complexity: 2000.000
• 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: 1

자주 묻는 질문

How should this product be stored?

Store at room temperature.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 2965-52-8. InChIKey BZZAKKWGRKFWJJ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.