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(Q82564687)
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English
4-(1,4-Diazepan-1-yl)benzonitrile
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
201.12659748
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₅N₃
0 references
canonical SMILES
C1CNCCN(C1)C2=CC=C(C=C2)C#N
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Identifiers
InChI
InChI=1S/C12H15N3/c13-10-11-2-4-12(5-3-11)15-8-1-6-14-7-9-15/h2-5,14H,1,6-9H2
0 references
InChIKey
ZWFKQDNBYURKLD-UHFFFAOYSA-N
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CAS Registry Number
303134-11-4
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PubChem CID
28410929
1 reference
matched by identifier from
InChIKey
InChIKey
ZWFKQDNBYURKLD-UHFFFAOYSA-N
UniChem compound ID
23937475
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID80651418
1 reference
matched by identifier from
InChIKey
InChIKey
ZWFKQDNBYURKLD-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID40602168
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