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Home Carboxys 2,5-Diazabicyclo[2.2.2]octane-2-carboxylic acid tert-butyl ester

2,5-Diazabicyclo[2.2.2]octane-2-carboxylic acid tert-butyl ester

CAS No.:
858671-91-7
Catalog Number:
AG0039NB
Molecular Formula:
C11H20N2O2
Molecular Weight:
212.2887
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$126
- +
250mg
97%
In Stock USA
United States
$200
- +
1g
97%
In Stock USA
United States
$500
- +
5g
97%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG0039NB
Chemical Name:
2,5-Diazabicyclo[2.2.2]octane-2-carboxylic acid tert-butyl ester
CAS Number:
858671-91-7
Molecular Formula:
C11H20N2O2
Molecular Weight:
212.2887
MDL Number:
MFCD18249863
IUPAC Name:
tert-butyl 2,5-diazabicyclo[2.2.2]octane-2-carboxylate
InChI:
InChI=1S/C11H20N2O2/c1-11(2,3)15-10(14)13-7-8-4-5-9(13)6-12-8/h8-9,12H,4-7H2,1-3H3
InChI Key:
RBLOMFQUEUBEBG-UHFFFAOYSA-N
SMILES:
O=C(N1CC2CCC1CN2)OC(C)(C)C
Properties
Complexity:
260  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.152g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
212.293g/mol
Monoisotopic Mass:
212.152g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties