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(Q82577510)
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English
1-Benzyl-4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazine
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
379.24310760000003
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₂₂H₃₀BN₃O₂
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canonical SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCN(CC3)CC4=CC=CC=C4
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Identifiers
InChI
InChI=1S/C22H30BN3O2/c1-21(2)22(3,4)28-23(27-21)19-10-11-20(24-16-19)26-14-12-25(13-15-26)17-18-8-6-5-7-9-18/h5-11,16H,12-15,17H2,1-4H3
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InChIKey
AFNSMUFYAVDYMJ-UHFFFAOYSA-N
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CAS Registry Number
1015242-03-1
1 reference
InChIKey
AFNSMUFYAVDYMJ-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
9 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=1015242-03-1
PubChem CID
44755167
1 reference
matched by identifier from
InChIKey
InChIKey
AFNSMUFYAVDYMJ-UHFFFAOYSA-N
UniChem compound ID
24457569
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID10660614
1 reference
matched by identifier from
InChIKey
InChIKey
AFNSMUFYAVDYMJ-UHFFFAOYSA-N
DSSTOX compound identifier
DTXCID10611363
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