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Home> Encyclopedia > Hot Product Listed P   > Piperidine,1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diphenylmethoxy)-
127263-13-2 structure

Piperidine,1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diphenylmethoxy)-

Iupac Name:3-benzhydryloxy-1-[2-(1,3-benzodioxol-5-yl)ethyl]piperidine
CAS No.:127263-13-2
Molecular Weight:415.533
Molecular Formula:C27H29NO3 (isomer)
Names and Identifiers
Synonyms

(+-)-1-(2-(1,3-benzodioxol-5-yl)ethyl)-3-(diphenylmethoxy)piperidine (+/-)-1-(2-(1,3-Benzodioxol-5-yl)ethyl)-3-(diphenylmethoxy)piperidine (3-diphenylmethoxy-1-(3,4)-methylenedioxyphenethyl)piperidine (3R)-1-[2-(1,3-Benzodioxol-5-yl)ethyl]-3-(diphenylmethoxy)piperidine 1-[2-(2h-1,3-benzodioxol-5-yl)ethyl]-3-(diphenylmethoxy)piperidine 3-benzhydryloxy-1-(2-benzo[1,3]dioxol-5-yl-ethyl)-piperidine AC1L3YF4 AN-17333 CHEMBL1568239 HE083775 L003600 NCGC00167783-01 Piperidine,1-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(diphenylmethoxy)-, (?à)- SCHEMBL1933745 zamifenacin

Inchi
InChI=1S/C27H29NO3/c1-3-8-22(9-4-1)27(23-10-5-2-6-11-23)31-24-12-7-16-28(19-24)17-15-21-13-14-25-26(18-21)30-20-29-25/h1-6,8-11,13-14,18,24,27H,7,12,15-17,19-20H2
InChkey
BDNFQGRSKSQXRI-UHFFFAOYSA-N
Canonical Smiles
C1CC(CN(C1)CCC2=CC3=C(C=C2)OCO3)OC(C4=CC=CC=C4)C5=CC=CC=C5
Properties
Density
1.2
Boiling Point
532.5°Cat760mmHg
Refractive Index
1.633
Flash Point
145.6°C
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:415.533g/mol
  • Molecular Formula:C27H29NO3
  • Compound Is Canonicalized:True
  • Exact Mass:415.215
  • Monoisotopic Mass:415.215
  • Complexity:513
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:30.9A^2
  • Heavy Atom Count:31
  • 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: AAADceB6MAAAAAAAAAAAAAAAAAAAASAAAAA8YMEAAAAAAEgBUAAAHgAAAAAADBThmAcwDoMABACA AiBCAAACCAAgIAAIiAAOiIgfJiKEsRunMCIkwBGeqAew0PIOIAABAAAAQABAAAIAAACAAAAAAAAA AA==
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