Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed P   > PB260505694
181141-40-2 structure

PB260505694

Iupac Name:tert-butyl (4aS,7aS)-2,3,4,4a,5,6,7,7a-octahydropyrrolo[3,4-b]pyridine-1-carboxylate
CAS No.:181141-40-2
Molecular Weight:226.31528
Molecular Formula:C19H19N3O2S (isomer)
Names and Identifiers
Synonyms

2-methyl-n-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]cyclopropane-1-carboxamide AKOS008471231 MOLPORT-010-074-478 Z27917216

Inchi
InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)14-6-4-5-9-7-13-8-10(9)14/h9-10,13H,4-8H2,1-3H3/t9-,10+/m0/s1
InChkey
LGEWGFOMLJQHLL-VHSXEESVSA-N
Canonical Smiles
CC(C)(C)OC(=O)N1CCCC2C1CNC2
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 181141-40-2 EC: PB260505694 ·ECHA C&L Inventory for CAS: CAS: 181141-40-2 EC: PB260505694
Computational chemical data
  • Molecular Weight:226.31528g/mol
  • Molecular Formula:C19H19N3O2S
  • Compound Is Canonicalized:True
  • Exact Mass:226.168
  • Monoisotopic Mass:226.168
  • Complexity:273
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:41.6A^2
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:2
  • 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: AAADceBzMAAAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgAAAAAHgAQAAAADWzBgAQCCAPABAAI AAAAGAAAAAAAAAAAAIAIAAAAQAIAwAAcAAAAFgCAAAEQAAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
 
<