1-(3-Methyl-2-pyridinyl)piperazine

HCID 2760057CAS 104396-10-3

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Basic information

Standard SMILES: Cc1cccnc1N1CCNCC1
InChIKey: VVBVRZMTWMATNG-UHFFFAOYSA-N
Molecular formula: C10H15N3
Average molar mass: 177.25 g/mol
Monoisotopic mass: 177.12659748

Names & identifiers

Preferred name: 1-(3-Methyl-2-pyridinyl)piperazine
IUPAC: 1-(3-methyl-2-pyridinyl)piperazine
English name: Piperazine, 1-(3-methyl-2-pyridinyl)- (9CI)
Molecular formula: C10H15N3
Molecular weight: 177.25

Names & synonyms

104396-10-31-(3-methyl-2-pyridinyl)piperazineRefChem:424017812-316-31-(3-methylpyridin-2-yl)piperazine111960-11-31-(3-Methyl-pyridin-2-yl)-piperazineMFCD03412117Piperazine, 1-(3-methyl-2-pyridinyl)- (9CI)Piperazine, 1-(3-methyl-2-pyridinyl)-1-(3-Methyl-2-pyridyl)-(6CI)piperazine; 1-(3-Methylpyridin-2-yl)piperazine;1-(3-methylpyridin-2-yl)-piperazine

Show more names

1-(3-Methylpyridin-2-yl)3-Methyl-2-(piperazin-1-yl)pyridine1-(3-Methyl-pyridin-2-yl)-piperazin1-(3-Methyl-2-pyridinyl)piperazine 3HCl1-(3-methylpyridin-2-yl)piperazine trihydrochloride1-(3-Methyl-2-pyridinyl)piperazine trihydrochloride1-(3-methylpyridin-2-yl)piperazine(SALTDATA: 0.12H2O)

SCHEMBL615931CHEMBL4587124DTXSID90920622VVBVRZMTWMATNG-UHFFFAOYSA-N1-(3-methyl-2-pyridyl)piperazineEEA39610GS07661-(3-methyl-pyridin-2-yl)piperazine

Database identifiers

CAS: 104396-10-3、111960-11-3
PubChem CID: 2760057
DTXSID: DTXSID90920622
ChEMBL: CHEMBL4587124
EC Number: 673-025-3、812-316-3

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 28.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 154

Physicochemical properties

Boiling point: 328.6 · 328.6±37.0 °C(Predicted)
Density: 1.059 · 1.059±0.06 g/cm3(Predicted)
storage temp.: 2 · 2-8°C
solubility: soluble in Methanol
form: liquid
pka: 8.71 · 8.71±0.29(Predicted)
color: Colourless
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P271-P280
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

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

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]