Imidazolyl-4-ethanol

C₅H₈N₂OCAS 872-82-2112.13 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₈N₂O
Molar mass: 112.13 g/mol
Exact mass: 112.0637 Da
logP: -0.06Crippen estimate
Polar surface area: 48.9 Å²
H-bond donors / acceptors: 2 / 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

872-82-2

SMILES

C1=C(NC=N1)CCO

InChIKey

HEEACTTWORLLPM-UHFFFAOYSA-N

InChI

InChI=1S/C5H8N2O/c8-2-1-5-3-6-4-7-5/h3-4,8H,1-2H2,(H,6,7)

Weigh it out

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

Names and synonyms

1 names

Histaminol

Work with Imidazolyl-4-ethanol

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

Similar compounds

1H-Imidazole-5-methanol822-55-962 % similar Histamine51-45-657 % similar 4-(Hydroxymethyl)imidazole hydrochloride32673-41-955 % similar Histamine dihydrochloride56-92-852 % similar Histamine diphosphate51-74-147 % similar 1H-Imidazole-5-acetic acid645-65-845 % similar 4(5)-Cyanomethylimidazole18502-05-145 % similar L-Histidinol dihydrochloride1596-64-143 % similar

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

Same formula

(1-Methyl-1H-pyrazol-4-yl)methanol112029-98-8 4,5-Dimethyl-3-isoxazolamine13999-39-8 Ethyl N-cyanoacetimidate1558-82-3 Imidazole-1-ethanol1615-14-1 (1-Methyl-1H-imidazol-2-yl)methanol17334-08-6 5-Amino-3,4-dimethylisoxazole19947-75-2 1,3-Dimethyl-5-pyrazolone2749-59-9 4-(Hydroxymethyl)-5-methylimidazole29636-87-1

Elsewhere

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