4,5-Diamino-1-(2-hydroxyethyl)pyrazole sulfate

C₅H₁₂N₄O₅SCAS 155601-30-2240.23 g/mol

Open in Covalent MOL file

Alcohol Primary amine

Properties

Molecular formula: C₅H₁₂N₄O₅S
Molar mass: 240.23 g/mol
Exact mass: 240.0528 Da
logP: -1.61Crippen estimate
Polar surface area: 164.7 Å²
H-bond donors / acceptors: 5 / 6
Rotatable bonds: 2

Hazards

Danger

H317 May cause an allergic skin reactionSensitization, Skin
H318 Causes serious eye damageSerious eye damage/eye irritation
H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI, index 613-249-00-0), via PubChem.

Precautionary statements

P261, P264+P265, P272, P273, P280, P302+P352, P305+P354+P338, P317, P321, P333+P317, P362+P364, P391, P501

Identifiers

CAS number

155601-30-2

SMILES

Nc1cnn(CCO)c1N.O=S(=O)(O)O

InChIKey

IBCDZZHMNXXYAP-UHFFFAOYSA-N

InChI

InChI=1S/C5H10N4O.H2O4S/c6-4-3-8-9(1-2-10)5(4)7;1-5(2,3)4/h3,10H,1-2,6-7H2;(H2,1,2,3,4)

Weigh it out

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

Names and synonyms

8 names

1H-Pyrazole-1-ethanol, 4,5-diamino-, sulfate (1:1)
1H-Pyrazole-1-ethanol, 4,5-diamino-, sulfate (1:1) (salt)
4,5-Diamino-1-(2-hydroxyethyl)-1H-pyrazole sulfate
1-(2-Hydroxyethyl)-4,5-diaminopyrazole sulfate
Rodol HDAP
Jarocol AHP
1-Hydroxyethyl-4,5-diaminopyrazole sulfate
2-(4,5-Diamino-1H-pyrazol-1-yl)ethan-1-ol; sulfuric acid

Work with 4,5-Diamino-1-(2-hydroxyethyl)pyrazole 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

Similar compounds

5-Amino-1H-pyrazole-1-ethanol73616-27-040 % similar Hydroxyethyl-p-phenylenediamine sulfate93841-25-940 % similar 1,2-Phenylenediamine sulfate74710-09-138 % similar 1,3-Diamino-4-(2-hydroxyethoxy)benzene sulfate70643-20-837 % similar N,N-Bis(2-hydroxyethyl)-p-phenylenediamine sulfate54381-16-735 % similar 2-Amino-4-((2-hydroxyethyl)amino)anisole sulfate83763-48-835 % similar Phenol, 2-amino-, sulfate (2:1)67845-79-834 % similar 1,4-Benzenediamine sulfate16245-77-533 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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