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(Q63398558)
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English
1-decylazepan-2-one
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
253.240564612
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₆H₃₁NO
0 references
canonical SMILES
CCCCCCCCCCN1CCCCCC1=O
0 references
Identifiers
InChI
InChI=1S/C16H31NO/c1-2-3-4-5-6-7-8-11-14-17-15-12-9-10-13-16(17)18/h2-15H2,1H3
0 references
InChIKey
PCEPYENXHJPCEF-UHFFFAOYSA-N
0 references
CAS Registry Number
59746-39-3
0 references
PubChem CID
12833264
1 reference
matched by identifier from
InChIKey
InChIKey
PCEPYENXHJPCEF-UHFFFAOYSA-N
UniChem compound ID
26899159
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP004149
0 references
DSSTox substance ID
DTXSID00511040
2 references
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
matched by identifier from
InChIKey
InChIKey
PCEPYENXHJPCEF-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID30461847
0 references
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