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Details

Stereochemistry ACHIRAL
Molecular Formula C6H11ClN2O.ClH
Molecular Weight 199.078
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-Chlorocarbonyl-N′-methylpiperazine hydrochloride

SMILES

Cl.CN1CCN(CC1)C(Cl)=O

InChI

InChIKey=WICNYNXYKZNNSN-UHFFFAOYSA-N
InChI=1S/C6H11ClN2O.ClH/c1-8-2-4-9(5-3-8)6(7)10;/h2-5H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula C6H11ClN2O
Molecular Weight 162.617
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 12:07:42 GMT 2023
Edited
by admin
on Sat Dec 16 12:07:42 GMT 2023
Record UNII
7T2R5ALS8T
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-Chlorocarbonyl-N′-methylpiperazine hydrochloride
Systematic Name English
1-Chlorocarbonyl-4-methylpiperazine hydrochloride
Systematic Name English
1-Piperazinecarbonyl chloride, 4-methyl-, hydrochloride (1:1)
Systematic Name English
1-Piperazinecarbonyl chloride, 4-methyl-, monohydrochloride
Systematic Name English
Code System Code Type Description
PUBCHEM
3016934
Created by admin on Sat Dec 16 12:07:42 GMT 2023 , Edited by admin on Sat Dec 16 12:07:42 GMT 2023
PRIMARY
EPA CompTox
DTXSID80203633
Created by admin on Sat Dec 16 12:07:42 GMT 2023 , Edited by admin on Sat Dec 16 12:07:42 GMT 2023
PRIMARY
ECHA (EC/EINECS)
259-482-8
Created by admin on Sat Dec 16 12:07:42 GMT 2023 , Edited by admin on Sat Dec 16 12:07:42 GMT 2023
PRIMARY
CAS
55112-42-0
Created by admin on Sat Dec 16 12:07:42 GMT 2023 , Edited by admin on Sat Dec 16 12:07:42 GMT 2023
PRIMARY
FDA UNII
7T2R5ALS8T
Created by admin on Sat Dec 16 12:07:42 GMT 2023 , Edited by admin on Sat Dec 16 12:07:42 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE