ST031673
(Q82239637)
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chemical compound
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Description
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English
ST031673
chemical compound
Statements
instance of
group of stereoisomers
0 references
subclass of
chemical compound
0 references
mass
190.110613068
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₁₁H₁₄N₂O
1 reference
based on heuristic
inferred from SMILES
canonical SMILES
CC(c1ccccc1)N1CC1C(=N)O
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C[C@H](c1ccccc1)N1C[C@H]1C(N)=O
1 reference
based on heuristic
inferred from InChI
Identifiers
InChI
InChI=1S/C11H14N2O/c1-8(9-5-3-2-4-6-9)13-7-10(13)11(12)14/h2-6,8,10H,7H2,1H3,(H2,12,14)/t8-,10+,13?/m1/s1
0 references
InChIKey
PUPRTGJZBLTWDQ-KMDCHFIWSA-N
0 references
CAS Registry Number
75985-51-2
0 references
PubChem CID
7016432
2 references
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
matched by identifier from
InChIKey
InChIKey
PUPRTGJZBLTWDQ-KMDCHFIWSA-N
UniChem compound ID
24166819
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70426839
1 reference
matched by identifier from
InChIKey
InChIKey
PUPRTGJZBLTWDQ-KMDCHFIWSA-N
DSSTOX compound identifier
DTXCID50377673
0 references
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