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Home> Hot Product Listed 1   > 1-Propanol,3-[(3-dibenzo[b,e]thiepin-11(6H)-ylidenepropyl)methylamino]-, hydrochloride,(E)- (9CI)
6321-64-8 structure

1-Propanol,3-[(3-dibenzo[b,e]thiepin-11(6H)-ylidenepropyl)methylamino]-, hydrochloride,(E)- (9CI)

Iupac Name:2-chloro-10-phenylacridin-9-one
CAS No.:6321-64-8
Molecular Weight:305.761
Molecular Formula:C12H9N5 (isomer)
Names and Identifiers
Synonyms

Dibenzo[b,e]thiepin,1-propanol deriv.

Inchi
InChI=1S/C19H12ClNO/c20-13-10-11-18-16(12-13)19(22)15-8-4-5-9-17(15)21(18)14-6-2-1-3-7-14/h1-12H
InChkey
PEPZMVGRMPVTKA-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)N2C3=C(C=C(C=C3)Cl)C(=O)C4=CC=CC=C42
Properties
Density
1.038
Boiling Point
589.1°C at 760 mmHg
Refractive Index
1.68
Flash Point
162.6°C
Computational chemical data
  • Molecular Weight:305.761g/mol
  • Molecular Formula:C12H9N5
  • Compound Is Canonicalized:True
  • Exact Mass:305.061
  • Monoisotopic Mass:305.061
  • Complexity:420
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Heavy Atom Count:22
  • 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
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