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Details

Stereochemistry ACHIRAL
Molecular Formula C12H15NO2.ClH
Molecular Weight 241.714
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2C-YN HYDROCHLORIDE

SMILES

Cl.COC1=CC(CCN)=C(OC)C=C1C#C

InChI

InChIKey=AKGLSSGVCLTMIM-UHFFFAOYSA-N
InChI=1S/C12H15NO2.ClH/c1-4-9-7-12(15-3)10(5-6-13)8-11(9)14-2;/h1,7-8H,5-6,13H2,2-3H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H15NO2
Molecular Weight 205.253
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Substance Class Chemical
Record UNII
P26HF7O25V
Record Status Validated (UNII)
Record Version