1-(5-Bromopyridin-3-yl)-4-methylpiperazine

HCID 53485314CAS 1130759-48-6

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Basic information

Standard SMILES: CN1CCN(c2cncc(Br)c2)CC1
InChIKey: OJCUHUIYERGNRZ-UHFFFAOYSA-N
Molecular formula: C10H14BrN3
Average molar mass: 256.14 g/mol
Monoisotopic mass: 255.03710955

Names & identifiers

Preferred name: 1-(5-Bromopyridin-3-yl)-4-methylpiperazine
IUPAC: 1-(5-bromo-3-pyridinyl)-4-methylpiperazine
English name: 1-(5-bromopyridin-3-yl)-4-methylpiperazine
Molecular formula: C10H14BrN3
Molecular weight: 256.14

Names & synonyms

1-(5-Bromopyridin-3-yl)-4-methylpiperazine1130759-48-6DTXSID50704506RefChem:225695DTXCID80655254973-575-71-(5-Bromo-3-pyridinyl)-4-methylpiperazineMFCD131816643-BROMO-5-(N-METHYLPIPERAZIN-1-YL)PYRIDINE1-(5-bromo-pyridin-3-yl)-4-methyl-piperazineSCHEMBL2257074OJCUHUIYERGNRZ-UHFFFAOYSA-N

Show more names

Piperazine, 1-(5-bromo-3-pyridinyl)-4-methyl-1-(5-Bromopyridin-3-yl)-4-methylpiperazine - [B93520]

AKOS015946327MB12372CS-40589SY468333DB-0602661-(5-bromo-3-pyridyl)-4-methyl-piperazine1-(5-bromopridine-3-yl)-4-methylpiperazineCS-0325226

Database identifiers

CAS: 1130759-48-6
PubChem CID: 53485314
DTXSID: DTXSID50704506
EC Number: 973-575-7

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 19.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 180

Physicochemical properties

Boiling point: 341.1 · 341.1±42.0 °C(Predicted)
Density: 1.406 · 1.406±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
pka: 7.24 · 7.24±0.42(Predicted)
Appearance: Colorless to light yellow Liquid

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 14 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.