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English
Piperidine, 5-ethyl-2-methyl-
chemical compound
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No label defined
No description defined
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
127.13609954399999
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₈H₁₇N
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CCC1CCC(C)NC1
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C8H17N/c1-3-8-5-4-7(2)9-6-8/h7-9H,3-6H2,1-2H3
0 references
InChIKey
XOFNHZHCGBPVGJ-UHFFFAOYSA-N
0 references
CAS Registry Number
104-89-2
1 reference
InChIKey
XOFNHZHCGBPVGJ-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=104-89-2
PubChem CID
7727
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
XOFNHZHCGBPVGJ-UHFFFAOYSA-N
SureChEMBL ID
SCHEMBL26639
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
XOFNHZHCGBPVGJ-UHFFFAOYSA-N
UniChem compound ID
23413952
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID00870447
1 reference
matched by identifier from
InChIKey
InChIKey
XOFNHZHCGBPVGJ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID20818169
0 references
NSC number
6119
0 references
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