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Home > Other Heterocycles > 194600-16-3
194600-16-3 | 2,5-Diazabicyclo[2.2.2]octane, (1S)-
CAS No: 194600-16-3 Catalog No: AG0074KR MDL No:MFCD09997868
Product Description
Catalog Number:
AG0074KR
Chemical Name:
2,5-Diazabicyclo[2.2.2]octane, (1S)-
CAS Number:
194600-16-3
Molecular Formula:
C6H12N2
Molecular Weight:
112.1729
MDL Number:
MFCD09997868
IUPAC Name:
(1S,4S)-2,5-diazabicyclo[2.2.2]octane
InChI:
InChI=1S/C6H12N2/c1-2-6-4-7-5(1)3-8-6/h5-8H,1-4H2/t5-,6-/m0/s1
InChI Key:
DJWDAKFSDBOQJK-WDSKDSINSA-N
SMILES:
C1C[C@H]2CNC1CN2
Properties
Complexity:
80.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
112.1g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
112.176g/mol
Monoisotopic Mass:
112.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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