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Home Carboxys tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-3-carboxylate

tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-3-carboxylate

CAS No.:
1251017-66-9
Catalog Number:
AG000N6D
Molecular Formula:
C10H18N2O2
Molecular Weight:
198.2621
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$147
- +
250mg
95%
In Stock USA
United States
$273
- +
1g
95%
In Stock USA
United States
$562
- +
Product Description
Catalog Number:
AG000N6D
Chemical Name:
tert-Butyl 3,6-diazabicyclo[3.1.1]heptane-3-carboxylate
CAS Number:
1251017-66-9
Molecular Formula:
C10H18N2O2
Molecular Weight:
198.2621
MDL Number:
MFCD17016735
IUPAC Name:
tert-butyl 3,6-diazabicyclo[3.1.1]heptane-3-carboxylate
InChI:
InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-5-7-4-8(6-12)11-7/h7-8,11H,4-6H2,1-3H3
InChI Key:
FCRTVZBUJDHXNR-UHFFFAOYSA-N
SMILES:
O=C(N1CC2CC(C1)N2)OC(C)(C)C
Properties
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.137g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
198.266g/mol
Monoisotopic Mass:
198.137g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties