chempirical

Nonadecylbenzene

C25H44CAS 29136-19-4344.63 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C25H44
Molar mass
344.63 g/mol
Exact mass
344.3443 Da
Melting point
40 °C
Boiling point
419 °C
logP
8.88Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
18

Identifiers

CAS number
29136-19-4
SMILES
CCCCCCCCCCCCCCCCCCCc1ccccc1
InChIKey
SHWJJBRTHGGZBE-UHFFFAOYSA-N
InChI
InChI=1S/C25H44/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-22-25-23-20-18-21-24-25/h18,20-21,23-24H,2-17,19,22H2,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names
  • Benzene, nonadecyl-
  • Nonadecane, 1-phenyl-
  • n-Nonadecylbenzene
  • 1-Phenylnonadecane

Work with Nonadecylbenzene

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

Decylbenzene104-72-3100 % similar Hexylbenzene1077-16-3100 % similar Heptylbenzene1078-71-3100 % similar n-Nonylbenzene1081-77-2100 % similar Dodecylbenzene123-01-3100 % similar Tridecylbenzene123-02-4100 % similar Hexadecylbenzene1459-09-2100 % similar Tetradecylbenzene1459-10-5100 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook