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Home> Hot Product Listed 1   > 1-benzyl-n-propylpiperidin-3-amine
1645-21-2 structure

1-benzyl-n-propylpiperidin-3-amine

Iupac Name:2-(4-fluorophenyl)chromen-4-one
CAS No.:1645-21-2
Molecular Weight:240.233
Molecular Formula:C13H10N2 (isomer)
Names and Identifiers
Synonyms

AC1Q2Y4M AKOS009318007 EN300-45376 MCULE-2813944999 MOLPORT-009-042-311 NE25312 Z992422498

Inchi
InChI=1S/C15H9FO2/c16-11-7-5-10(6-8-11)15-9-13(17)12-3-1-2-4-14(12)18-15/h1-9H
InChkey
ZHXIMGYEMBZGOI-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C2C(=C1)C(=O)C=C(O2)C3=CC=C(C=C3)F
Properties
Vapour
2E-05mmHg at 25°C
Refractive Index
1.616
Computational chemical data
  • Molecular Weight:240.233g/mol
  • Molecular Formula:C13H10N2
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.7
  • Exact Mass:240.059
  • Monoisotopic Mass:240.059
  • Complexity:356
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:26.3A^2
  • Heavy Atom Count:18
  • 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: AAADccBwMQAAAAAAAAAAAAAAAAAAAAAAAAAwYIAAAAAAAACBQAAAGwAAAAAADASAmAgwBoAABACI AqBSAAACCAAkIAAIiAEGCMgMJjaENRqCOWCk4BEIqYeIyKCOAAAAAAAIAAAAAAAAABAAAAAAAAAA AA==
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