Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed T   > T6066384
856846-09-8 structure

T6066384

Iupac Name:3-hydroxy-1-piperazin-1-ylpropan-1-one
CAS No.:856846-09-8
Molecular Weight:158.201
Molecular Formula:C20H30N2O3S (isomer)
Names and Identifiers
Synonyms

ethyl n-(3-{[3-(2-methylpiperidin-1-yl)propyl]carbamoyl}phenyl)carbamate MCULE-7378075051 MOLPORT-009-379-102 Z102278668

Inchi
InChI=1S/C7H14N2O2/c10-6-1-7(11)9-4-2-8-3-5-9/h8,10H,1-6H2
InChkey
HGSDPPKIASRECG-UHFFFAOYSA-N
Canonical Smiles
C1CN(CCN1)C(=O)CCO
Computational chemical data
  • Molecular Weight:158.201g/mol
  • Molecular Formula:C20H30N2O3S
  • Compound Is Canonicalized:True
  • Exact Mass:158.106
  • Monoisotopic Mass:158.106
  • Complexity:132
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:52.6A^2
  • Heavy Atom Count:11
  • 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: AAADccBjMAAAAAAAAAAAAAAAAAAAAAAAAAAsAAAAAAAAAAAAAAAAHgAQCAAACADhgAYAAAPAAgAI AAEQEAAAAAAAAAAAAIEIAAAAUAQAAAAUQAACNgCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-755-33239182
  • Fax:86-755-33233381
Recommended Suppliers
  • Tel:86-755-33239182
  • Fax:86-755-33233381
 
<