Imidazoleacetic acid hydrochloride

C5H7ClN2O2CAS 3251-69-2162.57 g/mol

Open in Covalent MOL file
HClOHONHN
Carboxylic acid

Properties

Molecular formula
C5H7ClN2O2
Molar mass
162.57 g/mol
Exact mass
162.0196 Da
Melting point
127 °C
logP
0.46Crippen estimate
Polar surface area
66.0 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 4 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
3251-69-2
SMILES
Cl.O=C(O)Cc1cnc[nH]1
InChIKey
MWHLCFYPFGFBQO-UHFFFAOYSA-N
InChI
InChI=1S/C5H6N2O2.ClH/c8-5(9)1-4-2-6-3-7-4;/h2-3H,1H2,(H,6,7)(H,8,9);1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

11 names
  • 1H-Imidazole-5-acetic acid, hydrochloride (1:1)
  • Imidazole-4-acetic acid, monohydrochloride
  • 1H-Imidazole-4-acetic acid, monohydrochloride
  • Imidazole-4-acetic acid hydrochloride
  • 1H-Imidazole-4-acetic acid, hydrochloride
  • Imidazol-4-acetic acid hydrochloride
  • 1H-Imidazole-5-acetic acid hydrochloride
  • (1H-Imidazol-4-yl)acetic acid hydrochloride
  • (1H-Imidazol-5-yl)acetic acid hydrochloride
  • 2-(1H-Imidazol-5-yl)acetic acid hydrochloride
  • 2-(1H-Imidazol-4-yl)acetic acid hydrochloride

Work with Imidazoleacetic 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-5-acetic acid645-65-8Free base

Similar compounds

L-Histidine hydrochloride (1:?)1007-42-754 % similar D-Histidine hydrochloride6341-24-854 % similar L-Histidine monohydrochloride645-35-254 % similar DL-Histidine hydrochloride6459-59-254 % similar 4-(Hydroxymethyl)imidazole hydrochloride32673-41-953 % similar Dl-histidine monohydrochloride monohydrate123333-71-150 % similar Histidine monohydrochloride monohydrate5934-29-250 % similar Alpha-methyl-dl-histidine dihydrochloride32381-18-349 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1H-Imidazole-1-acetic acid hydrochloride87266-37-3

Elsewhere

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