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(Q82969713)
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English
1-(9-Azabicyclo[4.2.1]non-2-en-2-yl)ethan-1-one--hydrogen chloride (1/1)
group of stereoisomers with the chemical formula C₁₀H₁₆ClNO
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Statements
instance of
group of stereoisomers
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subclass of
chemical compound
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mass
201.092041812
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₀H₁₆ClNO
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(=O)C1=CCCC2CCC1N2.Cl
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
CC(=O)C1=CCCC2CC[C@@H]1N2.Cl
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C10H15NO.ClH/c1-7(12)9-4-2-3-8-5-6-10(9)11-8;/h4,8,10-11H,2-3,5-6H2,1H3;1H/t8?,10-;/m0./s1
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InChIKey
ZYFLQFXDHYWQMQ-LQRGNCEWSA-N
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CAS Registry Number
64314-16-5
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PubChem CID
135265
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
UniChem compound ID
66716290
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID30982865
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DSSTOX compound identifier
DTXCID201410117
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