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(Q82240207)
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English
(1S,2S)-2-(benzylamino)cyclohexanol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
205.146664228
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
chemical formula
C₁₃H₁₉NO
0 references
canonical SMILES
OC1CCCCC1NCc1ccccc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1CC[C@@H]([C@H](C1)NCC2=CC=CC=C2)O
0 references
Identifiers
InChI
InChI=1S/C13H19NO/c15-13-9-5-4-8-12(13)14-10-11-6-2-1-3-7-11/h1-3,6-7,12-15H,4-5,8-10H2/t12-,13-/m0/s1
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InChIKey
NJNCYFUGUYIMEQ-STQMWFEESA-N
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CAS Registry Number
322407-34-1
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PubChem CID
7038923
1 reference
matched by identifier from
InChIKey
InChIKey
NJNCYFUGUYIMEQ-STQMWFEESA-N
UniChem compound ID
23335102
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID70427548
1 reference
matched by identifier from
InChIKey
InChIKey
NJNCYFUGUYIMEQ-STQMWFEESA-N
DSSTOX compound identifier
DTXCID50378382
0 references
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