Home Other Building Blocks 3-Quinuclidinone, HCl

3-Quinuclidinone, HCl

CAS No.:
1193-65-3
Catalog Number:
AG000IK0
Molecular Formula:
C7H12ClNO
Molecular Weight:
161.6293
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$19
- +
25g
97%
In Stock USA
United States
$50
- +
100g
97%
In Stock USA
United States
$150
- +
Product Description
Catalog Number:
AG000IK0
Chemical Name:
3-Quinuclidinone, HCl
CAS Number:
1193-65-3
Molecular Formula:
C7H12ClNO
Molecular Weight:
161.6293
MDL Number:
MFCD00137391
IUPAC Name:
1-azabicyclo[2.2.2]octan-3-one;hydrochloride
InChI:
InChI=1S/C7H11NO.ClH/c9-7-5-8-3-1-6(7)2-4-8;/h6H,1-5H2;1H
InChI Key:
RFDPHKHXPMDJJD-UHFFFAOYSA-N
SMILES:
O=C1CN2CCC1CC2.Cl
EC Number:
214-776-5
NSC Number:
91498
Properties
Complexity:
136  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.061g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
161.629g/mol
Monoisotopic Mass:
161.061g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Discovering selective agonists of endothelial target for acetylcholine (ETA) via diversity-guided pharmacophore simplification and simulation. Bioorganic & medicinal chemistry letters 20040621
Properties