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(Q72497625)
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English
(1S,2S)-2-[(Phenylmethyl)amino]cyclopentanol
chemical compound
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Statements
instance of
type of chemical entity
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subclass of
chemical compound
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mass
191.131014164
dalton
1 reference
based on heuristic
inferred from isomeric SMILES
stereoisomer of
(1R,2R)-2-(Benzylamino)cyclopentan-1-ol
1 reference
based on heuristic
inferred from InChI
chemical formula
C₁₂H₁₇NO
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canonical SMILES
OC1CCCC1NCc1ccccc1
1 reference
based on heuristic
inferred from isomeric SMILES
isomeric SMILES
C1C[C@@H]([C@H](C1)O)NCC2=CC=CC=C2
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Identifiers
InChI
InChI=1S/C12H17NO/c14-12-8-4-7-11(12)13-9-10-5-2-1-3-6-10/h1-3,5-6,11-14H,4,7-9H2/t11-,12-/m0/s1
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InChIKey
FEGVMDAESGIXLU-RYUDHWBXSA-N
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CAS Registry Number
68327-02-6
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PubChem CID
11658433
1 reference
matched by identifier from
InChIKey
InChIKey
FEGVMDAESGIXLU-RYUDHWBXSA-N
UniChem compound ID
24612982
1 reference
stated in
UniChem
DSSTox substance ID
DTXSID20470145
1 reference
matched by identifier from
InChIKey
InChIKey
FEGVMDAESGIXLU-RYUDHWBXSA-N
DSSTOX compound identifier
DTXCID20420963
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