1-Phenylpiperazine hydrochloride

C₁₀H₁₅ClN₂CAS 2210-93-7198.69 g/mol

Open in Covalent MOL file

Secondary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₅ClN₂
Molar mass: 198.69 g/mol
Exact mass: 198.0924 Da
Melting point: 247 °C (decomposes)
logP: 1.52Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed100% of notifiers
H311 Toxic in contact with skin97.7% of notifiers
H315 Causes skin irritation97.7% of notifiers
H319 Causes serious eye irritation97.7% of notifiers
H331 Toxic if inhaled88.6% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 44 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

2210-93-7

SMILES

Cl.c1ccc(N2CCNCC2)cc1

InChIKey

NQNZNONJZASOKL-UHFFFAOYSA-N

InChI

InChI=1S/C10H14N2.ClH/c1-2-4-10(5-3-1)12-8-6-11-7-9-12;/h1-5,11H,6-9H2;1H

Weigh it out

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

Names and synonyms

5 names

Piperazine, 1-phenyl-, hydrochloride (1:1)
Piperazine, 1-phenyl-, monohydrochloride
N-Phenylpiperazine hydrochloride
4-Phenylpiperazine hydrochloride
1-Phenylpiperazinium chloride

Work with 1-Phenylpiperazine 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.

Phenylpiperazine92-54-6Free base

Similar compounds

1-Biphenyl-4-yl-piperazine180698-19-568 % similar 1-(3-Methylphenyl)piperazine dihydrochloride13078-13-266 % similar 1-(4-Chlorophenyl)piperazine hydrochloride13078-12-166 % similar N-(4-Chlorophenyl)piperazine dihydrochloride38869-46-466 % similar 1-(3-Chlorophenyl)piperazine hydrochloride13078-15-465 % similar 1-(3-Chlorophenyl)piperazine dihydrochloride51639-49-765 % similar 1-(3-Chlorophenyl)piperazine monohydrochloride65369-76-865 % similar 1-(4-Fluorophenyl)piperazine dihydrochloride64090-19-363 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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