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1240782-81-3 | 2,5-Diazabicyclo[2.2.2]octane-2-carboxylic acid, 1,1-dimethylethyl ester, (1R,4R)-
CAS No: 1240782-81-3 Catalog No: AG000LJ7 MDL No:MFCD09997871
Product Description
Catalog Number:
AG000LJ7
Chemical Name:
2,5-Diazabicyclo[2.2.2]octane-2-carboxylic acid, 1,1-dimethylethyl ester, (1R,4R)-
CAS Number:
1240782-81-3
Molecular Formula:
C11H20N2O2
Molecular Weight:
212.2887
MDL Number:
MFCD09997871
IUPAC Name:
tert-butyl (1R,4R)-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/t8-,9-/m1/s1
InChI Key:
RBLOMFQUEUBEBG-RKDXNWHRSA-N
SMILES:
O=C(N1C[C@H]2CC[C@@H]1CN2)OC(C)(C)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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