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Home> Encyclopedia > Hot Product Listed 6   > 6-Pentadecene-3,5-dione,4,6,8,10,12-pentamethyl-, (4S,6E,8S,10S,12S)-
425399-05-9 structure

6-Pentadecene-3,5-dione,4,6,8,10,12-pentamethyl-, (4S,6E,8S,10S,12S)-

Iupac Name:2-[(6-phenyl-2,3,4,9-tetrahydro-1H-carbazol-1-yl)amino]ethanol
CAS No.:425399-05-9
Molecular Weight:306.40100
Molecular Formula:C10H14O2 (isomer)
Names and Identifiers
Synonyms

Siphonarienedione

Inchi
InChI=1S/C20H22N2O/c23-12-11-21-19-8-4-7-16-17-13-15(14-5-2-1-3-6-14)9-10-18(17)22-20(16)19/h1-3,5-6,9-10,13,19,21-23H,4,7-8,11-12H2
InChkey
RXIUMAOXORBRCY-UHFFFAOYSA-N
Canonical Smiles
C1CC(C2=C(C1)C3=C(N2)C=CC(=C3)C4=CC=CC=C4)NCCO
Properties
Boiling Point
779.8°C at 760 mmHg
Refractive Index
1.682
Flash Point
101.5°C
Computational chemical data
  • Molecular Weight:306.40100g/mol
  • Molecular Formula:C10H14O2
  • Compound Is Canonicalized:True
  • Exact Mass:306.173
  • Monoisotopic Mass:306.173
  • Complexity:382
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:48A^2
  • Heavy Atom Count:23
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7IAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAQCAAADCjhngYwwPLJkgCg AyRiRACCgCAhAiAImaA4ZJgKcOLAkZGUIAhgkADYyAcQgMAOiAACAAACAAAQAASAAAQAQAAAAAAA AA==
 
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