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English
(1R,2S)-2-(Aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
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mass
235.157228912
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(1R,2R)-2-(aminomethyl)-1-(3-methoxyphenyl)cyclohexan-1-ol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₄H₂₁NO₂
0 references
canonical SMILES
COc1cccc(C2(O)CCCCC2CN)c1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
COC1=CC=CC(=C1)[C@]2(CCCC[C@H]2CN)O
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Identifiers
InChI
InChI=1S/C14H21NO2/c1-17-13-7-4-6-11(9-13)14(16)8-3-2-5-12(14)10-15/h4,6-7,9,12,16H,2-3,5,8,10,15H2,1H3/t12-,14-/m0/s1
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InChIKey
QNPPIKMBCJUUTG-JSGCOSHPSA-N
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CAS Registry Number
541505-94-6
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PubChem CID
29922743
1 reference
matched by identifier from
InChIKey
InChIKey
QNPPIKMBCJUUTG-JSGCOSHPSA-N
UniChem compound ID
23478501
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID90652198
1 reference
matched by identifier from
InChIKey
InChIKey
QNPPIKMBCJUUTG-JSGCOSHPSA-N
DSSTOX compound identifier
DTXCID60602948
0 references
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