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(Q82966393)
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English
4-(4-Propylcyclohexyl)benzonitrile
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
227.167399672
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₆H₂₁N
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCCC1CCC(c2ccc(C#N)cc2)CC1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C16H21N/c1-2-3-13-4-8-15(9-5-13)16-10-6-14(12-17)7-11-16/h6-7,10-11,13,15H,2-5,8-9H2,1H3
0 references
InChIKey
XXUSEPRYHRDKFV-UHFFFAOYSA-N
0 references
CAS Registry Number
63834-44-6
0 references
PubChem CID
109061
1 reference
matched by identifier from
InChIKey
InChIKey
XXUSEPRYHRDKFV-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL261024
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XXUSEPRYHRDKFV-UHFFFAOYSA-N
DSSTox substance ID
DTXSID70980446
0 references
DSSTOX compound identifier
DTXCID701034134
0 references
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