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Home> Encyclopedia > Hot Product Listed 5   > 5H-Dibenzo[a,d]cycloheptene-5-propanamine,N,N-diethyl-10,11-dihydro-
5257-20-5 structure

5H-Dibenzo[a,d]cycloheptene-5-propanamine,N,N-diethyl-10,11-dihydro-

Iupac Name:6,8-dioxabicyclo[3.2.1]octan-7-one
CAS No.:5257-20-5
Molecular Weight:128.127
Molecular Formula:C19H16N4O5S (isomer)
Names and Identifiers
Synonyms

5h-dibenzo(a,d)cycloheptene-5-propylamine, 10,11-dihydro-n,n-diethyl- 5H-Dibenzo[a,d]cycloheptene-5-propylamine,N,N-diethyl-10,11-dihydro- (8CI) AC1L1MPH brn 2815830 diethyl(3-{tricyclo[9.4.0.0(3),?]pentadeca-1(15),3,5,7,11,13-hexaen-2-yl}propyl)amine DTXSID20178073 LS-60744 n,n-diethyl-10,11-dihydro-5h-dibenzo(a,d)cycloheptene-5-propylamine n,n-diethyl-10,11-dihydro-5h-dibenzo[a,d]cycloheptene-5-(1-propanamine)

Inchi
InChI=1S/C6H8O3/c7-6-4-2-1-3-5(8-4)9-6/h4-5H,1-3H2
InChkey
FDTQYEHORIQWRC-UHFFFAOYSA-N
Canonical Smiles
C1CC2C(=O)OC(C1)O2
Properties
Density
1.049
Boiling Point
499.2°Cat760mmHg
Refractive Index
1.632
Flash Point
256.5°C
Computational chemical data
  • Molecular Weight:128.127g/mol
  • Molecular Formula:C19H16N4O5S
  • Compound Is Canonicalized:True
  • Exact Mass:128.047
  • Monoisotopic Mass:128.047
  • Complexity:143
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:35.5A^2
  • Heavy Atom Count:9
  • 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: AAADccBgMAAAAAAAAAAAAAAAAAAAASAAAAAkAAAABIAAAAAAAAAAGgAAAAAACBSwgAMACAAABAAI AACQCAIAAAAAAAAAAAFAAAARABIAAAQiAAAEAAAGAAGIaAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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