2-Aminoimidazolium sulfate

C₃H₇N₃O₄SCAS 1450-93-7181.17 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₃H₇N₃O₄S
Molar mass: 181.17 g/mol
Exact mass: 181.0157 Da
Melting point: 275–278 °C
logP: -0.83Crippen estimate
Polar surface area: 130.0 Å²
H-bond donors / acceptors: 5 / 3
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation98% of notifiers

Aggregated from 50 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

1450-93-7

SMILES

N=c1[nH]cc[nH]1.O=S(=O)(O)O

InChIKey

LEUJVEZIEALICS-UHFFFAOYSA-N

InChI

InChI=1S/C3H5N3.H2O4S/c4-3-5-1-2-6-3;1-5(2,3)4/h1-2H,(H3,4,5,6);(H2,1,2,3,4)

Weigh it out

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

Names and synonyms

4 names

1H-Imidazol-2-amine, sulfate (2:1)
Imidazole, 2-amino-, sulfate (2:1)
2-Aminoimidazole hemisulfate
2-Aminoimidazole sulfate (2:1)

Work with 2-Aminoimidazolium sulfate

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.

2-Aminoimidazole7720-39-0Free base

Similar compounds

4,5,6-Triaminopyrimidine sulfate49721-45-143 % similar Sulfuric acid7664-93-943 % similar 2,4,5,6-Tetraaminopyrimidine sulfate49647-58-742 % similar 2,4,5,6-Tetraaminopyrimidine sulfate (1:1)5392-28-942 % similar 1,4-Benzenediamine sulfate16245-77-539 % similar Guanine sulfate10333-92-339 % similar 4-Amino-7H-pyrrolo[2,3-d]pyrimidine Hydrogen Sulfate769951-32-838 % similar Hydrazine sulfate10034-93-238 % similar

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

Elsewhere

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