Home Carboxys tert-Butyl (1r,4r)-5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate

tert-Butyl (1r,4r)-5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate

CAS No.:
1818843-13-8
Catalog Number:
AG00236D
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
97%
1 week
United States
$307
- +
250mg
97%
1 week
United States
$496
- +
1g
97%
1 week
United States
$1412
- +
5g
97%
1 week
United States
$4160
- +
Product Description
Catalog Number:
AG00236D
Chemical Name:
tert-Butyl (1r,4r)-5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate
CAS Number:
1818843-13-8
Molecular Formula:
C12H19NO3
Molecular Weight:
225.2842
MDL Number:
MFCD28502535
IUPAC Name:
tert-butyl (1R,4R)-5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate
InChI:
InChI=1S/C12H19NO3/c1-12(2,3)16-11(15)13-7-8-4-5-9(13)6-10(8)14/h8-9H,4-7H2,1-3H3/t8-,9-/m1/s1
InChI Key:
AUKQEIHIPOHGHN-RKDXNWHRSA-N
SMILES:
O=C1C[C@H]2CC[C@@H]1CN2C(=O)OC(C)(C)C
Properties
Complexity:
319  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
225.136g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.288g/mol
Monoisotopic Mass:
225.136g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties