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Details

Stereochemistry ACHIRAL
Molecular Formula C4H5ClN2.HNO3
Molecular Weight 179.562
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 5-Chloro-1-methylimidazole nitrate

SMILES

O[N+]([O-])=O.CN1C=NC=C1Cl

InChI

InChIKey=PPAZZUWYNLCOAK-UHFFFAOYSA-N
InChI=1S/C4H5ClN2.HNO3/c1-7-3-6-2-4(7)5;2-1(3)4/h2-3H,1H3;(H,2,3,4)

HIDE SMILES / InChI
Molecular Formula HNO3
Molecular Weight 63.0128
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C4H5ClN2
Molecular Weight 116.549
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Tue Apr 01 19:11:30 GMT 2025
Edited
by admin
on Tue Apr 01 19:11:30 GMT 2025
Record UNII
TJ7AT4T3L7
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
5-Chloro-1-methylimidazole nitrate
Systematic Name English
1H-Imidazole, 5-chloro-1-methyl-, mononitrate
Preferred Name English
Imidazole, 5-chloro-1-methyl-, nitrate
Systematic Name English
1H-Imidazole, 5-chloro-1-methyl-, nitrate (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
TJ7AT4T3L7
Created by admin on Tue Apr 01 19:11:30 GMT 2025 , Edited by admin on Tue Apr 01 19:11:30 GMT 2025
PRIMARY
CAS
4531-53-7
Created by admin on Tue Apr 01 19:11:30 GMT 2025 , Edited by admin on Tue Apr 01 19:11:30 GMT 2025
PRIMARY
ECHA (EC/EINECS)
224-868-7
Created by admin on Tue Apr 01 19:11:30 GMT 2025 , Edited by admin on Tue Apr 01 19:11:30 GMT 2025
PRIMARY
PUBCHEM
44149182
Created by admin on Tue Apr 01 19:11:30 GMT 2025 , Edited by admin on Tue Apr 01 19:11:30 GMT 2025
PRIMARY
EPA CompTox
DTXSID10196468
Created by admin on Tue Apr 01 19:11:30 GMT 2025 , Edited by admin on Tue Apr 01 19:11:30 GMT 2025
PRIMARY
Related Record Type Details
Structure of 5-Chloro-1-methylimidazole
PARENT -> SALT/SOLVATE
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