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(Q82683396)
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English
(1S)-2,5-Diazabicyclo[2.2.2]octane
group of stereoisomers with the chemical formula C₆H₁₂N₂
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Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
112.10004838399999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₆H₁₂N₂
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
C1CC2CNC1CN2
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1C[C@H]2CNC1CN2
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C6H12N2/c1-2-6-4-7-5(1)3-8-6/h5-8H,1-4H2/t5-,6?/m0/s1
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InChIKey
DJWDAKFSDBOQJK-ZBHICJROSA-N
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CAS Registry Number
194600-16-3
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PubChem CID
68393920
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
51216687
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60738271
0 references
DSSTOX compound identifier
DTXCID40689015
0 references
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