chempirical

1H-Imidazole-1-acetic acid hydrochloride

C5H7ClN2O2CAS 87266-37-3162.57 g/mol

Open in Covalent MOL file
NNOOHHCl
Carboxylic acid

Properties

Molecular formula
C5H7ClN2O2
Molar mass
162.57 g/mol
Exact mass
162.0196 Da
logP
0.39Crippen estimate
Polar surface area
55.1 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
87266-37-3
SMILES
C1=CN(C=N1)CC(=O)O.Cl
InChIKey
JKZJSYXGKHQHRA-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O2.ClH/c8-5(9)3-7-2-1-6-4-7;/h1-2,4H,3H2,(H,8,9);1H

Weigh it out

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Work with 1H-Imidazole-1-acetic acid hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

1H-Imidazole-1-acetic acid22884-10-2Free base

Similar compounds

3-Imidazol-1-yl-propionic acid18999-45-662 % similar 1,2,4-Triazole-1-acetic acid28711-29-743 % similar 4-Pyridylacetic acid hydrochloride6622-91-942 % similar 1H-Tetrazole-1-acetic acid21732-17-239 % similar Dazoxiben78218-09-438 % similar 1-Ethylimidazole7098-07-938 % similar 3-Pyridylacetic acid hydrochloride6419-36-938 % similar 1-(2,4-Dichlorophenyl)-2-(1H-imidazol-1-yl)ethanone46503-52-038 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Imidazoleacetic acid hydrochloride3251-69-2

Elsewhere

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