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Perfluorosebacamidine - ≥98%, high purity , CAS No.865-94-1
Basic Description
Specifications & Purity
≥98%
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Organic nitrogen compounds
Class
Organonitrogen compounds
Subclass
Amidines
Intermediate Tree Nodes
Not available
Direct Parent
Carboxamidines
Alternative Parents
Carboximidamides Organopnictogen compounds Organofluorides Hydrocarbon derivatives Alkyl fluorides
Molecular Framework
Aliphatic acyclic compounds
Substituents
Carboximidamide - Carboxylic acid amidine - Organopnictogen compound - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as carboxamidines. These are carboxylic acid derivatives containing the amidine 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.
Names and Identifiers
IUPAC Name
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorodecanediimidamide
INCHI
InChI=1S/C10H6F16N4/c11-3(12,1(27)28)5(15,16)7(19,20)9(23,24)10(25,26)8(21,22)6(17,18)4(13,14)2(29)30/h(H3,27,28)(H3,29,30)
InChIKey
XHXXTJKMMCVPCP-UHFFFAOYSA-N
Smiles
C(=N)(C(C(C(C(C(C(C(C(C(=N)N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N
Isomeric SMILES
C(=N)(C(C(C(C(C(C(C(C(C(=N)N)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)N
PubChem CID
2776361
Molecular Weight
486.16
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Molecular Weight
486.160 g/mol
XLogP3
3.600
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
18
Rotatable Bond Count
9
Exact Mass
486.034 Da
Monoisotopic Mass
486.034 Da
Topological Polar Surface Area
99.700 Ų
Heavy Atom Count
30
Formal Charge
0
Complexity
651.000
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
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