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Home> Hot Product Listed S   > SBB054437
724692-89-1 structure

SBB054437

Iupac Name:2-amino-N-(3-methoxyphenyl)acetamide
CAS No.:724692-89-1
Molecular Weight:180.207
Molecular Formula:C21H31N3O2 (isomer)
Names and Identifiers
Synonyms

AKOS025116819 AS-8815 CTK7G3447 mfcd11100120 MOLPORT-009-196-922 or110576 SCHEMBL1581610 tert-butyl 4-[2-(4-bromo-1h-pyrazol-1-yl)ethyl]piperazine-1-carboxylate tert-butyl 4-[2-(4-bromopyrazol-1-yl)ethyl]piperazine-1-carboxylate tert-butyl 4-[2-(4-bromopyrazolyl)ethyl]piperazinecarboxylate ZINC40448057 zx-rl001493

Inchi
InChI=1S/C9H12N2O2/c1-13-8-4-2-3-7(5-8)11-9(12)6-10/h2-5H,6,10H2,1H3,(H,11,12)
InChkey
KWEKVVGPSNAKEM-UHFFFAOYSA-N
Canonical Smiles
COC1=CC=CC(=C1)NC(=O)CN
Computational chemical data
  • Molecular Weight:180.207g/mol
  • Molecular Formula:C21H31N3O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.4
  • Exact Mass:180.09
  • Monoisotopic Mass:180.09
  • Complexity:173
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:64.4A^2
  • Heavy Atom Count:13
  • 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: AAADccBzMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAACAzBkAYyxoLABACI ACVSUACCCAAhIgAIiICGbIgMZiLEsZuUMChm1BnI6AeQUAMAAAAAAgAAAAAAAAAEAAAAAAAAAAAA AA==
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