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Details

Stereochemistry RACEMIC
Molecular Formula C13H16N2O3.ClH
Molecular Weight 284.739
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-(1,4-Benzodioxan-2-carbonyl)piperazine hydrochloride

SMILES

Cl.O=C(C1COC2=CC=CC=C2O1)N3CCNCC3

InChI

InChIKey=TUKBWYXLYINULI-UHFFFAOYSA-N
InChI=1S/C13H16N2O3.ClH/c16-13(15-7-5-14-6-8-15)12-9-17-10-3-1-2-4-11(10)18-12;/h1-4,12,14H,5-9H2;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C13H16N2O3
Molecular Weight 248.2777
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:47:11 GMT 2023
Edited
by admin
on Sat Dec 16 19:47:11 GMT 2023
Record UNII
SK3FQQ8W9N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-(1,4-Benzodioxan-2-carbonyl)piperazine hydrochloride
Systematic Name English
1-(2,3-Dihydro-1,4-benzodioxin-2-ylcarbonyl)piperazine hydrochloride
Systematic Name English
2-(1-Piperazinylcarbonyl)-1,4-benzodioxane Hydrochloride
Systematic Name English
Methanone, (2,3-dihydro-1,4-benzodioxin-2-yl)-1-piperazinyl-, hydrochloride (1:1)
Systematic Name English
1-(2,3-Dihydro-1,4-benzodioxine-2-carbonyl)piperazine hydrochloride
Systematic Name English
Piperazine, 1-[(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]-, monohydrochloride
Systematic Name English
Code System Code Type Description
FDA UNII
SK3FQQ8W9N
Created by admin on Sat Dec 16 19:47:11 GMT 2023 , Edited by admin on Sat Dec 16 19:47:11 GMT 2023
PRIMARY
CAS
70918-74-0
Created by admin on Sat Dec 16 19:47:11 GMT 2023 , Edited by admin on Sat Dec 16 19:47:11 GMT 2023
PRIMARY
PUBCHEM
2735448
Created by admin on Sat Dec 16 19:47:11 GMT 2023 , Edited by admin on Sat Dec 16 19:47:11 GMT 2023
PRIMARY
Related Record Type Details
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