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(Q82683247)
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English
tert-Butyl (3aR,6aS)-5-cyanohexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
236.15247788
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₃H₂₀N₂O₂
0 references
canonical SMILES
CC(C)(C)OC(=O)N1CC2CC(C#N)CC2C1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(C)(C)OC(=O)N1C[C@H]2CC(C[C@H]2C1)C#N
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Identifiers
InChI
InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-7-10-4-9(6-14)5-11(10)8-15/h9-11H,4-5,7-8H2,1-3H3/t9?,10-,11+
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InChIKey
XCKUDHFIGYWWMJ-FGWVZKOKSA-N
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CAS Registry Number
1256039-44-7
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PubChem CID
68242562
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UniChem compound ID
55561320
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID60738170
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DSSTOX compound identifier
DTXCID10688914
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