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Home> Encyclopedia > Hot Product Listed W   > WYWLNFNCMSRHEO-UHFFFAOYSA-N
683274-46-6 structure

WYWLNFNCMSRHEO-UHFFFAOYSA-N

Iupac Name:tert-butyl 4-(2-amino-4-methoxycarbonylphenyl)piperazine-1-carboxylate
CAS No.:683274-46-6
Molecular Weight:335.404
Molecular Formula:C17H25N3O4 (isomer)
Names and Identifiers
Synonyms

4-(2-amino-4-methoxycarbonylphenyl)piperazine-1-carboxylic acid tert-butyl ester 8086AE AK279646 AKOS027301500 KB-334608 SCHEMBL103154 tert-butyl 4-(2-amino-4-(methoxycarbonyl)phenyl)piperazine-1-carboxylate tert-butyl 4-[2-amino-4-(methoxycarbonyl)-phenyl]piperazine-1-carboxylate tert-butyl 4-[2-amino-4-(methoxycarbonyl)phenyl]piperazine-1-carboxylate ZINC2513579

Inchi
InChI=1S/C17H25N3O4/c1-17(2,3)24-16(22)20-9-7-19(8-10-20)14-6-5-12(11-13(14)18)15(21)23-4/h5-6,11H,7-10,18H2,1-4H3
InChkey
WYWLNFNCMSRHEO-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)OC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)N
Computational chemical data
  • Molecular Weight:335.404g/mol
  • Molecular Formula:C17H25N3O4
  • Compound Is Canonicalized:True
  • Exact Mass:335.185
  • Monoisotopic Mass:335.185
  • Complexity:455
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:85.1A^2
  • Heavy Atom Count:24
  • 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: AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABAAAAHgAQAAAADEzBmAYyyINABACI AiTSWACCAAAlAgAIiAEIfMgIZjLAtZmcMQhk1gHI6Ye82SOeCAAAQAAAACAQAACAAAAAQAAAAAAA AA==
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Recommended Suppliers
  • Tel:44 (1761)-435170
  • Fax:
  • Tel:+44 1484 317 214
  • Fax:
  • Tel:888-329-8990
  • Fax:609 434 0143
  • Tel:(01457) 868921 (4 lines)
  • Fax:(01457) 869360/860927
 
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