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Home> Hot Product Listed P   > Piperazine,2,5-dimethyl-1-tetradecyl-, hydrochloride (1:2)
62596-29-6 structure

Piperazine,2,5-dimethyl-1-tetradecyl-, hydrochloride (1:2)

Iupac Name:2-(2,4-dihydroxyphenyl)-5-hydroxy-8,8-dimethyl-3-(3-methylbut-2-enyl)pyrano[2,3-h]chromen-4-one
CAS No.:62596-29-6
Molecular Weight:420.461
Molecular Formula:C23H42N2O12 (isomer)
Names and Identifiers
Synonyms

2,5-dimethyl-1-tetradecylpiperazine dihydrochloride AC1MIAQH LS-111831 piperazine, 2,5-dimethyl-1-tetradecyl-, dihydrochloride Piperazine,2,5-dimethyl-1-tetradecyl-, dihydrochloride (6CI)

Inchi
InChI=1S/C25H24O6/c1-13(2)5-7-17-22(29)21-19(28)12-20-16(9-10-25(3,4)31-20)24(21)30-23(17)15-8-6-14(26)11-18(15)27/h5-6,8-12,26-28H,7H2,1-4H3
InChkey
XFFOMNJIDRDDLQ-UHFFFAOYSA-N
Canonical Smiles
CC(=CCC1=C(OC2=C3C=CC(OC3=CC(=C2C1=O)O)(C)C)C4=C(C=C(C=C4)O)O)C
Properties
Density
1.049
Melting Point
232-235℃
Refractive Index
1.636
Flash Point
241.3°C
Computational chemical data
  • Molecular Weight:420.461g/mol
  • Molecular Formula:C23H42N2O12
  • Compound Is Canonicalized:True
  • Exact Mass:420.157
  • Monoisotopic Mass:420.157
  • Complexity:805
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:96.2A^2
  • Heavy Atom Count:31
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB4OAAAAAAAAAAAAAAAAAAAAAAAAAAwYIEAAAAAAACBQAAAGgAACAAADESAmAAyBoAABgCI AqBSAAACCAAkIAAIiAEGCMgMJzaGNRqCeWCl4BUIuQeI7OzOIAACCAAIAABAAAQQABAAAAAAAAAA AA==
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