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Home> Hot Product Listed Z   > Z855840624
18518-71-3 structure

Z855840624

Iupac Name:3,4-dihydro-2H-chromen-3-amine;hydrochloride
CAS No.:18518-71-3
Molecular Weight:185.651
Molecular Formula:C16H17N3O3 (isomer)
Names and Identifiers
Synonyms

7-methyl-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]-4h-pyrido[1,2-a]pyrimidin-4-one 7-methyl-2-[(2,2,6-trimethylmorpholin-4-yl)methyl]pyrido[1,2-a]pyrimidin-4-one MCULE-7539496744 MOLPORT-027-650-222

Inchi
InChI=1S/C9H11NO.ClH/c10-8-5-7-3-1-2-4-9(7)11-6-8;/h1-4,8H,5-6,10H2;1H
InChkey
NSLATPDKWVAAIL-UHFFFAOYSA-N
Canonical Smiles
C1C(COC2=CC=CC=C21)N.Cl
Properties
Vapour
0.0151mmHg at 25°C
Safety and Handling
Risk Statements
22
Computational chemical data
  • Molecular Weight:185.651g/mol
  • Molecular Formula:C16H17N3O3
  • Compound Is Canonicalized:True
  • Exact Mass:185.061
  • Monoisotopic Mass:185.061
  • Complexity:138
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:35.2A^2
  • Heavy Atom Count:12
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:2
  • CACTVS Substructure Key Fingerprint: AAADccByIAAEAAAAAAAAAAAAAAAAAAAAAAA0QAAAAAAAAACRAAAAHgAQAAAADCzhmAYwBoBABACA AiBCAAACCAAgIAAIiIAGCIgOJiKEsRuDOCCk0BEIqAewwKAOAAAAAAAIAAAAAAAAABAAAAAAAAAA AA==
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