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Heptacosane - ≥96%, high purity , CAS No.593-49-7
Basic Description
Synonyms
n-Heptacosane
Specifications & Purity
≥96%
Shipped In
Normal
Taxonomic Classification
Kingdom
Organic compounds
Superclass
Hydrocarbons
Class
Saturated hydrocarbons
Subclass
Alkanes
Intermediate Tree Nodes
Not available
Direct Parent
Alkanes
Alternative Parents
Not available
Molecular Framework
Aliphatic acyclic compounds
Substituents
Acyclic alkane - Alkane - Aliphatic acyclic compound
Description
This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
External Descriptors
an alkane
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
heptacosane
INCHI
InChI=1S/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3
InChIKey
BJQWYEJQWHSSCJ-UHFFFAOYSA-N
Smiles
CCCCCCCCCCCCCCCCCCCCCCCCCCC
Isomeric SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCC
WGK Germany
3
Molecular Weight
380.75
Reaxy-Rn
1706242
Reaxys-RN_link_address
https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1706242&ln=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
Chemical and Physical Properties
Solubility
Solubility in hot Toluene almost transparency
Flash Point(°F)
248 °F
Flash Point(°C)
120 °C
Boil Point(°C)
270°/15mm Hg
Melt Point(°C)
58-60°C
Molecular Weight
380.700 g/mol
XLogP3
14.200
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
0
Rotatable Bond Count
24
Exact Mass
380.438 Da
Monoisotopic Mass
380.438 Da
Topological Polar Surface Area
0.000 Ų
Heavy Atom Count
27
Formal Charge
0
Complexity
208.000
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
Citations of This Product
1.
Lina Pan, Wenfang Gao, Xinyu Liu, Dongyu Qin, Tiantian Zhang, Rui Ren, Weiyi Zhang, Meidi Sun, Cuiqing Gao, Penghua Bai, Wei You, Gengping Zhu, Min Li.
(2023)
Parasitoids as taxonomists: how does the parasitoid Chouioia cunea distinguish between a host and a non-host?. PEST MANAGEMENT SCIENCE,
79
(11):
(4547-4556).
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1 Citations
F2527439