Histamine

C₅H₉N₃CAS 51-45-6111.15 g/mol

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Properties

Molecular formula: C₅H₉N₃
Molar mass: 111.15 g/mol
Exact mass: 111.0796 Da
Density: 1.19 g/mL
Melting point: 83–84 °C
Boiling point: 209–210 °C (at 18 Torr)
logP: -0.09Crippen estimate
Polar surface area: 54.7 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Identifiers

CAS number

51-45-6

SMILES

NCCc1cnc[nH]1

InChIKey

NTYJJOPFIAHURM-UHFFFAOYSA-N

InChI

InChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)

Weigh it out

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

Names and synonyms

19 names · show all

1H-Imidazole-5-ethanamine
1H-Imidazole-4-ethanamine
Eramin
Ergamine
Ergotidine
5-Imidazoleethylamine
Imidazole-4-ethylamine
β-Imidazolyl-4-ethylamine
2-(4-Imidazolyl)ethylamine
4-(2-Aminoethyl)imidazole
2-(1H-Imidazol-4-yl)ethylamine
2-(4-Imidazolyl)ethanamine
2-(1H-Imidazol-5-yl)ethylamine
2-(1H-Imidazol-4-yl)ethanamine
NSC 33792
2-(1H-Imidazol-5-yl)ethanamine
2-(3H-Imidazol-4-yl)ethylamine
2-(1H-Imidazol-5-yl)ethan-1-amine
2-(1H-Imidazol-4-yl)ethan-1-amine

Work with Histamine

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

Histamine dihydrochloride56-92-888 % similar Histamine diphosphate51-74-171 % similar 1H-Imidazole-5-methanol822-55-950 % similar 4-(Hydroxymethyl)imidazole hydrochloride32673-41-945 % similar 1H-Imidazole-5-acetic acid645-65-841 % similar L-Histidinol dihydrochloride1596-64-139 % similar D-Histidine351-50-839 % similar Dl-histidine4998-57-639 % similar

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

Same formula

2-Pyrazol-1-ylethylamin101395-71-5 1,3-Dimethyl-1H-pyrazol-5-amine3524-32-1 5-Amino-1-ethylpyrazole3528-58-3

Elsewhere

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