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Details

Stereochemistry ACHIRAL
Molecular Formula C12H17N3O.2BrH
Molecular Weight 381.107
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-[4-(piperazin-1-yl)phenyl]acetamide dihydrobromide

SMILES

Br.Br.CC(=O)NC1=CC=C(C=C1)N2CCNCC2

InChI

InChIKey=SQJAHRAHFJESSV-UHFFFAOYSA-N
InChI=1S/C12H17N3O.2BrH/c1-10(16)14-11-2-4-12(5-3-11)15-8-6-13-7-9-15;;/h2-5,13H,6-9H2,1H3,(H,14,16);2*1H

HIDE SMILES / InChI

Molecular Formula BrH
Molecular Weight 80.912
Charge 0
Count
MOL RATIO 2 MOL RATIO (average)
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C12H17N3O
Molecular Weight 219.2829
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
WST35V88YY
Record Status Validated (UNII)
Record Version