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(Q106902956)
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English
N-tert-butyl-1-phenylmethanimine oxide
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
177.1153641
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₁H₁₅NO
1 reference
PubChem CID
638877
retrieved
19 May 2021
canonical SMILES
CC(C)(C)[N+](=CC1=CC=CC=C1)[O-]
1 reference
PubChem CID
638877
retrieved
19 May 2021
isomeric SMILES
CC(C)(C)/[N+](=C/C1=CC=CC=C1)/[O-]
1 reference
PubChem CID
638877
retrieved
19 May 2021
melting point
73
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
Identifiers
InChI
InChI=1S/C11H15NO/c1-11(2,3)12(13)9-10-7-5-4-6-8-10/h4-9H,1-3H3/b12-9-
1 reference
PubChem CID
638877
retrieved
19 May 2021
InChIKey
IYSYLWYGCWTJSG-XFXZXTDPSA-N
1 reference
PubChem CID
638877
retrieved
19 May 2021
CAS Registry Number
3376-24-7
1 reference
stated in
CAS (formerly Chemical Abstracts Service)
retrieved
25 January 2022
PubChem CID
638877
2 references
retrieved
19 May 2021
matched by identifier from
InChIKey
InChIKey
IYSYLWYGCWTJSG-XFXZXTDPSA-N
SureChEMBL ID
SCHEMBL267779
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IYSYLWYGCWTJSG-XFXZXTDPSA-N
SCHEMBL244830
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
IYSYLWYGCWTJSG-XFXZXTDPSA-N
UniChem compound ID
335979
1 reference
stated in
UniChem
NMRShiftDB structure ID
10018473
1 reference
matched by identifier from
InChIKey
InChIKey
IYSYLWYGCWTJSG-XFXZXTDPSA-N
UNII
3I91332OPG
1 reference
matched by identifier from
InChIKey
InChIKey
IYSYLWYGCWTJSG-XFXZXTDPSA-N
Probes And Drugs ID
PD018659
0 references
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