1-(3-Bromophenyl)piperazine

C₁₀H₁₃BrN₂CAS 31197-30-5241.13 g/mol

Open in Covalent MOL file

Aryl halide Secondary amine Tertiary amine

Properties

Molecular formula: C₁₀H₁₃BrN₂
Molar mass: 241.13 g/mol
Exact mass: 240.0262 Da
logP: 1.86Crippen estimate
Polar surface area: 15.3 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 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

31197-30-5

SMILES

Brc1cccc(N2CCNCC2)c1

InChIKey

DOYNABJKDZARLF-UHFFFAOYSA-N

InChI

InChI=1S/C10H13BrN2/c11-9-2-1-3-10(8-9)13-6-4-12-5-7-13/h1-3,8,12H,4-7H2

Weigh it out

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

Names and synonyms

4 names

Piperazine, 1-(3-bromophenyl)-
Piperazine, 1-(m-bromophenyl)-
1-(m-Bromophenyl)piperazine
4-(3-Bromophenyl)piperazine

Work with 1-(3-Bromophenyl)piperazine

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

1-(3-Chlorophenyl)piperazine6640-24-063 % similar 1-(3-Fluorophenyl)piperazine3801-89-661 % similar 1-(3-Biphenylyl)piperazine115761-61-059 % similar 1-(3-Methylphenyl)piperazine41186-03-259 % similar 1-(3-Hydroxyphenyl)piperazine59817-32-259 % similar 1-(3-Chlorophenyl)piperazine hydrochloride13078-15-457 % similar 1-(3-Chlorophenyl)piperazine dihydrochloride51639-49-757 % similar 1-(3-Chlorophenyl)piperazine monohydrochloride65369-76-857 % similar

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

Same formula

1-(2-Bromophenyl)piperazine1011-13-8 1-(4-Bromophenyl)piperazine66698-28-0

Elsewhere

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