Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 6   > 6H-3,8a-(Iminomethano)pyrrolo[2,1-c][1,2,4]triazine(9CI)
105114-21-4 structure

6H-3,8a-(Iminomethano)pyrrolo[2,1-c][1,2,4]triazine(9CI)

Iupac Name:4-amino-3-hydroxy-5-phenylpentanoic acid
CAS No.:105114-21-4
Molecular Weight:209.245
Molecular Formula:C6H9NO3 (isomer)
Names and Identifiers
Synonyms

5,8,9,11-tetraazatricyclo[5.2.2.0(1),?]undeca-2,6,8-triene 5,8,9,11-tetraazatricyclo[5.2.2.0~1,5~]undeca-2,6,8-triene 6h-3,8a- pyrrolo[2,1-c][1,2,4]triazine 6h-3,8a-(iminomethano)pyrrolo[2,1-c][1,2,4]triazine (9ci) KB-291745 PL017865

Inchi
InChI=1S/C11H15NO3/c12-9(10(13)7-11(14)15)6-8-4-2-1-3-5-8/h1-5,9-10,13H,6-7,12H2,(H,14,15)
InChkey
JAJQQUQHMLWDFB-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)CC(C(CC(=O)O)O)N
Computational chemical data
  • Molecular Weight:209.245g/mol
  • Molecular Formula:C6H9NO3
  • Compound Is Canonicalized:True
  • Exact Mass:209.105
  • Monoisotopic Mass:209.105
  • Complexity:202
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:83.6A^2
  • Heavy Atom Count:15
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:2
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQCAAADDzhmAYwCIBAAgCI AiDSCAACAAAgAAAIiIEAAIgKMDaAkRGAYAAlsAAIiAe8yOCOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-571-85586718
  • Fax:86-571-85864795
Recommended Suppliers
  • Tel:86-571-85586718
  • Fax:86-571-85864795
 
<