4-Aminoantipyrine hydrochloride

C₁₁H₁₄ClN₃OCAS 22198-72-7239.70 g/mol

Open in Covalent MOL file

Primary amine

Properties

Molecular formula: C₁₁H₁₄ClN₃O
Molar mass: 239.70 g/mol
Exact mass: 239.0825 Da
Melting point: 201 °C
logP: 1.49Crippen estimate
Polar surface area: 53.0 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation33.3% of notifiers

Aggregated from 3 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

22198-72-7

SMILES

Cc1c(N)c(=O)n(-c2ccccc2)n1C.Cl

InChIKey

UZSCVCWALGRUTR-UHFFFAOYSA-N

InChI

InChI=1S/C11H13N3O.ClH/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9;/h3-7H,12H2,1-2H3;1H

Weigh it out

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

Names and synonyms

3 names

3H-Pyrazol-3-one, 4-amino-1,2-dihydro-1,5-dimethyl-2-phenyl-, hydrochloride (1:1)
Antipyrine, 4-amino-, monohydrochloride
3H-Pyrazol-3-one, 4-amino-1,2-dihydro-1,5-dimethyl-2-phenyl-, monohydrochloride

Work with 4-Aminoantipyrine 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.

Ampyrone83-07-8Free base

Similar compounds

Diantipyrylmethane1251-85-060 % similar 4-Iodoantipyrine129-81-760 % similar Isopyrine hydrochloride18342-39-760 % similar Propyphenazone479-92-557 % similar Aminopyrine58-15-157 % similar 2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazole-4-carbaldehyde950-81-257 % similar Ramifenazone3615-24-553 % similar 4-Acetylaminoantipyrine83-15-851 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

L-Tryptophanamide hydrochloride5022-65-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook