3-Phenyltetradecane - CAS 4534-58-1
Catalog: |
BB054338 |
Product Name: |
3-Phenyltetradecane |
CAS: |
4534-58-1 |
Synonyms: |
Benzene, (1-ethyldodecyl)-; Tetradecane, 3-phenyl-; (1-Ethyldodecyl)benzene; 3-Tetradecanylbenzene; 3-Tetradecanylbenzol |
IUPAC Name: | tetradecan-3-ylbenzene |
Molecular Weight: | 274.48 |
Molecular Formula: | C20H34 |
Canonical SMILES: | CCCCCCCCCCCC(CC)C1=CC=CC=C1 |
InChI: | InChI=1S/C20H34/c1-3-5-6-7-8-9-10-11-13-16-19(4-2)20-17-14-12-15-18-20/h12,14-15,17-19H,3-11,13,16H2,1-2H3 |
InChI Key: | ILOABSZOHZMWLD-UHFFFAOYSA-N |
Boiling Point: | 193-194°C at 12 Torr |
Melting Point: | -3°C |
Purity: | ≥95% |
Density: | 0.854±0.06 g/mL (Predicted) |
Complexity: | 190 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 274.266051085 |
Formal Charge: | 0 |
Heavy Atom Count: | 20 |
Hydrogen Bond Acceptor Count: | 0 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 274.266051085 |
Rotatable Bond Count: | 12 |
Topological Polar Surface Area: | 0 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 9 |
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