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Details

Stereochemistry RACEMIC
Molecular Formula C12H15NO2.ClH
Molecular Weight 241.714
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MDMAT HYDROCHLORIDE

SMILES

Cl.CNC1CCC2=C(C1)C=C3OCOC3=C2

InChI

InChIKey=HXKQKDFTWRLUBD-UHFFFAOYSA-N
InChI=1S/C12H15NO2.ClH/c1-13-10-3-2-8-5-11-12(15-7-14-11)6-9(8)4-10;/h5-6,10,13H,2-4,7H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula C12H15NO2
Molecular Weight 205.253
Charge 0
Count
MOL RATIO 1 MOL RATIO (average)
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

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

Approval Year

Substance Class Chemical
Record UNII
JV4FSP6YL3
Record Status Validated (UNII)
Record Version