Home Other Building Blocks (1R,6S)-Rel-3-boc-1-methyl-3,7-diazabicyclo[4.2.0]octane

(1R,6S)-Rel-3-boc-1-methyl-3,7-diazabicyclo[4.2.0]octane

CAS No.:
1250994-64-9
Catalog Number:
AG000N54
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
95%
1 week
United States
$745
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Product Description
Catalog Number:
AG000N54
Chemical Name:
(1R,6S)-Rel-3-boc-1-methyl-3,7-diazabicyclo[4.2.0]octane
CAS Number:
1250994-64-9
Molecular Formula:
C12H22N2O2
Molecular Weight:
226.3153
MDL Number:
MFCD17016516
IUPAC Name:
tert-butyl (1R,6S)-1-methyl-3,7-diazabicyclo[4.2.0]octane-3-carboxylate
InChI:
InChI=1S/C12H22N2O2/c1-11(2,3)16-10(15)14-6-5-9-12(4,8-14)7-13-9/h9,13H,5-8H2,1-4H3/t9-,12+/m0/s1
InChI Key:
RKITXPQOOVWRNA-JOYOIKCWSA-N
SMILES:
O=C(N1CC[C@H]2[C@](C1)(C)CN2)OC(C)(C)C
Properties
Complexity:
298  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0
Exact Mass:
226.168g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
226.32g/mol
Monoisotopic Mass:
226.168g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties