Pentacontane - CAS 6596-40-3
Catalog: |
BB032866 |
Product Name: |
Pentacontane |
CAS: |
6596-40-3 |
Synonyms: |
pentacontane |
IUPAC Name: | pentacontane |
Description: | Pentacontane (CAS# 6596-40-3 ) is a useful research chemical. |
Molecular Weight: | 703.34 |
Molecular Formula: | C50H102 |
Canonical SMILES: | CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC |
InChI: | InChI=1S/C50H102/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-37-39-41-43-45-47-49-50-48-46-44-42-40-38-36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-50H2,1-2H3 |
InChI Key: | PFLUOWJPZLHUEA-UHFFFAOYSA-N |
Boiling Point: | 578.4 °C at 760 mmHg |
Melting Point: | 94 °C |
Purity: | 95 % |
Density: | 0.823 g/cm3 |
Solubility: | Other solvents(Soluble) : Hot benzene |
LogP: | 19.75100 |
Publication Number | Title | Priority Date |
JP-2021006641-A | Polyimide resin composition | 20200929 |
WO-2021182152-A1 | (poly)alkylene-glycol-containing compound | 20200312 |
EP-3859211-A1 | Temperature warning indicator for a handheld lighter | 20200131 |
WO-2021151580-A1 | Temperature warning indicator for a handheld lighter | 20200131 |
JP-2021103757-A | High frequency circuit board and its manufacturing method | 20191226 |
PMID | Publication Date | Title | Journal |
21132165 | 20110214 | Predicting the influence of a p2-symmetric substrate on molecular self-organization with an interaction-site model | Chemical communications (Cambridge, England) |
16287316 | 20051123 | Structural evolution of hexa-peri-hexabenzocoronene adlayers in heteroepitaxy on n-pentacontane template monolayers | Journal of the American Chemical Society |
Complexity: | 488 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 702.79815325 |
Formal Charge: | 0 |
Heavy Atom Count: | 50 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 702.79815325 |
Rotatable Bond Count: | 47 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 26.7 |
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