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Home Other Building Blocks 1,2,3,4,5,6,7,8-Octahydroacridine

1,2,3,4,5,6,7,8-Octahydroacridine

CAS No.:
1658-08-8
Catalog Number:
AG001WCU
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$150
- +
5g
95%
In Stock USA
United States
$463
- +
Product Description
Catalog Number:
AG001WCU
Chemical Name:
1,2,3,4,5,6,7,8-Octahydroacridine
CAS Number:
1658-08-8
Molecular Formula:
C13H17N
Molecular Weight:
187.2808
MDL Number:
MFCD00005032
IUPAC Name:
1,2,3,4,5,6,7,8-octahydroacridine
InChI:
InChI=1S/C13H17N/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)14-12/h9H,1-8H2
InChI Key:
LLCXJIQXTXEQID-UHFFFAOYSA-N
SMILES:
C1CCc2c(C1)nc1c(c2)CCCC1
EC Number:
216-758-2
Properties
Complexity:
181  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
187.136g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
187.286g/mol
Monoisotopic Mass:
187.136g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
12.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  
Literature
Title Journal
Experimental and theoretical study of the interaction of 3-carboxy-5,6-benzocoumarin with some 1,2,3,4,5,6,7,8-octahydroacridines and the corresponding N-oxides. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20111015
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Hydroacridines: part 30. 1H and 13C NMR spectra of 9-substituted 1,2,3,4,5,6,7,8-octahydroacridines and of their N-oxides. Magnetic resonance in chemistry : MRC 20091201
Hydroacridines: part 29. 15N NMR chemical shifts of 9-substituted 1,2,3,4,5,6,7,8-octahydroacridines and their N-oxides-Taft, Swain-Lupton, and other types of linear correlations. Magnetic resonance in chemistry : MRC 20081201
CeZSM-5--a designer's catalyst for selective synthesis of octahydroacridine. Chemical communications (Cambridge, England) 20041207
Synthesis of 1,2,3,4,5,6,7,8-octahydroacridine via condensation of cyclohexanone with formaldehyde. The Journal of organic chemistry 20010223
Properties