1-(m-Tolyl)piperazine

HCID 83111CAS 41186-03-2

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Basic information

Standard SMILES: Cc1cccc(N2CCNCC2)c1
InChIKey: JIWHIRLNKIUYSM-UHFFFAOYSA-N
Molecular formula: C11H16N2
Average molar mass: 176.26 g/mol
Monoisotopic mass: 176.13134851

Names & identifiers

Preferred name: 1-(m-Tolyl)piperazine
IUPAC: 1-(3-methylphenyl)piperazine
English name: 1-(3-METHYLPHENYL)PIPERAZINE
Molecular formula: C11H16N2
Molecular weight: 176.26

Names & synonyms

1-(3-Methylphenyl)piperazine41186-03-21-(m-Tolyl)piperazine1-m-tolylpiperazinePiperazine, 1-(3-methylphenyl)-FYS4L9BW6GEINECS 255-251-0NSC-184825N-(3-TOLYL)PIPERAZINEDTXSID30194108NSC 184825NSC-150848

Show more names

RARECHEM AH CK 0136N-(m-Tolyl)piperazineLABOTEST-BB LT00233106Acetylcysteine Impurity 103N-(3-Methylphenyl) piperazine1-(3-Methylphenyl)piperazine 98%

RefChem:427920DTXCID00116599255-251-01-(3-Methylphenyl)-piperazineMFCD000407341-m-Tolyl-piperazine3-methylphenylpiperazineCHEMBL165175

Database identifiers

CAS: 41186-03-2
PubChem CID: 83111
DTXSID: DTXSID30194108
ChEMBL: CHEMBL165175
UNII: FYS4L9BW6G
EC Number: 255-251-0
Nikkaji: J231.928D

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 152

Physicochemical properties

Melting point: 125 · 125-128 °C
Boiling point: 112 °C · 112 °C
Density: 1.04 · 1.04
refractive index: 1.5755 · 1.5755-1.5785
storage temp.: 2 · 2-8°C, protect from light
pka: 9.05 · 9.05±0.10(Predicted)
form: Viscous Liquid
color: Clear colorless to yellow
CAS DataBase Reference: 41186 · 41186-03-2(CAS DataBase Reference)
FDA UNII: 4 L9BW6G · FYS4L9BW6G
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 37 · 37/39-26-36/37/39
RIDADR: 3267 · UN 3267 8/PG III
HazardClass: IRRITANT
PackingGroup: III
HS Code: 29335990 · 29335990

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]

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

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)

Safety data

ridadr: UN 3267 8/PG III
hs_code: 29335990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 37/39-26-36/37/39
hazard_class: IRRITANT
packing_group: III
Hazard statements: H315-H319-H335
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

Uses1-(3-Methylphenyl)piperazine is used in preparation of (2,5-Dioxopyrrolidin-L-yl)(phenyl)acetamide derivatives useful in treatment of neurological disorders.