Heneicosane

C21H44CAS 629-94-7296.58 g/mol

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Properties

Molecular formula
C21H44
Molar mass
296.58 g/mol
Exact mass
296.3443 Da
Density
0.7477 g/mL (at 89 °C)
Melting point
40.5 °C
Boiling point
356.5 °C
Flash point
113 °C (closed cup)
Water solubility
insoluble
logP
8.44Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
18

Hazards

Not classified as hazardous under GHS by 96 ECHA notifiers. Aggregated from 96 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number
629-94-7
SMILES
CCCCCCCCCCCCCCCCCCCCC
InChIKey
FNAZRRHPUDJQCJ-UHFFFAOYSA-N
InChI
InChI=1S/C21H44/c1-3-5-7-9-11-13-15-17-19-21-20-18-16-14-12-10-8-6-4-2/h3-21H2,1-2H3

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Names and synonyms

1 names
  • n-Heneicosane

Work with Heneicosane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Octane111-65-9100 % similar Nonane111-84-2100 % similar Dodecane112-40-3100 % similar Icosane112-95-8100 % similar Undecane1120-21-4100 % similar Decane124-18-5100 % similar Tetratriacontane14167-59-0100 % similar Heptane142-82-5100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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