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Details

Stereochemistry RACEMIC
Molecular Formula C12H19NO3.ClH
Molecular Weight 261.745
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of TMA-4 hydrochloride

SMILES

Cl.COC1=CC(OC)=C(OC)C(CC(C)N)=C1

InChI

InChIKey=SXINZWPVERIRBZ-UHFFFAOYSA-N
InChI=1S/C12H19NO3.ClH/c1-8(13)5-9-6-10(14-2)7-11(15-3)12(9)16-4;/h6-8H,5,13H2,1-4H3;1H

HIDE SMILES / InChI

Molecular Formula C12H19NO3
Molecular Weight 225.2842
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
KK6VW3P463
Record Status Validated (UNII)
Record Version