(Q82696470)

English

N-Methyl-N-[(2R)-1-phenylpropan-2-yl]prop-2-yn-1-amine N-oxide

group of stereoisomers with the chemical formula C₁₃H₁₇NO

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Statements

group of stereoisomers

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chemical compound

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203.131014164 dalton

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based on heuristic

inferred from SMILES

chemical formula

C₁₃H₁₇NO

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based on heuristic

inferred from SMILES

canonical SMILES

C#CC[N+](C)([O-])C(C)Cc1ccccc1

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based on heuristic

inferred from isomeric SMILES

isomeric SMILES

C#CC[N+](C)([O-])[C@H](C)Cc1ccccc1

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based on heuristic

inferred from InChI

Identifiers

InChI=1S/C13H17NO/c1-4-10-14(3,15)12(2)11-13-8-6-5-7-9-13/h1,5-9,12H,10-11H2,2-3H3/t12-,14?/m1/s1

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IVFPCTFUZXEDKP-PUODRLBUSA-N

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CAS Registry Number

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26 December 2021

UniChem compound ID

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DSSTox substance ID

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DSSTOX compound identifier

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