1-(p-Tolyl)piperazine

HCID 83113CAS 39593-08-3

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1ccc(N2CCNCC2)cc1
InChIKey: ONEYFZXGNFNRJH-UHFFFAOYSA-N
Molecular formula: C11H16N2
Average molar mass: 176.26 g/mol
Monoisotopic mass: 176.13134851

Names & identifiers

Preferred name: 1-(p-Tolyl)piperazine
IUPAC: 1-(4-methylphenyl)piperazine
English name: 1-(4-METHYLPHENYL)PIPERAZINE
Molecular formula: C11H16N2
Molecular weight: 176.26

Names & synonyms

1-(4-Methylphenyl)piperazine39593-08-31-(p-Tolyl)piperazineEINECS 254-534-6DTXSID90192706RefChem:428232DTXCID90115197254-534-6MFCD000407371-(4-methylphenyl)-piperazine1-p-Tolyl-piperazine4-methylphenylpiperazine

Show more names

RARECHEM AH CK 0137N-(P-TOLYL)PIPERAZINEMethylphenylpiperazine1-(4-Methyphenyl)piperazineN-(4-Methylphenyl)piperazine1,4- Methyl Phenyl piperizinePiperazine, 1-(4-methylphenyl)-

CHEMBL165462NSC-1508494-(4-methylphenyl)piperazineN-4-Tolylpiperazine4-(4-Tolyl)piperazine4-methylphenyl piperazine78DG9CN7ZMSCHEMBL81940

Database identifiers

CAS: 39593-08-3
PubChem CID: 83113
DTXSID: DTXSID90192706
ChEMBL: CHEMBL165462
UNII: 78DG9CN7ZM
EC Number: 254-534-6
Nikkaji: J261.399I

Properties

Computed structural properties

XLogP: 1.5
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: 144

Physicochemical properties

Melting point: 29 · 29-32 °C
Boiling point: 116 °C · 116 °C
Density: 1.012 · 1.012
storage temp.: 2 · Storage temp. 2-8°C
form: Low Melting Solid
pka: 9 · 9.00±0.10(Predicted)
color: White to yellow
BRN: 139489 · 139489
InChI: 1S/C11H16N2/c1-10-2-4-11(5-3-10)13-8-6-12-7-9-13/h2-5,12H,6-9H2,1H3
InChIKey: ONEYFZXGNFNRJH-UHFFFAOYSA-N
SMILES: Cc1ccc(cc1)N2CCNCC2
CAS DataBase Reference: 39593 · 39593-08-3(CAS DataBase Reference)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P305+P351+P338
target organs: Respiratory system
PPE: 95 · dust mask type N95 (US), Eyeshields, Gloves
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26
RIDADR: 3263 · UN 3263 8/PG III
WGK Germany: 3 · 3
F: 10 · 10-34
Hazard Note: Irritant
HazardClass: 8 · 8
PackingGroup: III
HS Code: 29335990 · 29335990
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 2 Skin · Eye Irrit. 2Skin Irrit. 2STOT SE 3

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (95.2%): 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 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (95.2%)

Safety data

F: 10-34
PPE: dust mask type N95 (US), Eyeshields, Gloves
wgk: 3
ridadr: UN 3263 8/PG III
hs_code: 29335990
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26
hazard_class: 8
Storage Class: 11 - Combustible Solids
packing_group: III
target organs: Respiratory system
Hazard statements: H315-H319-H335
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
Precautionary statements: P261-P305+P351+P338

Chemistry & industry

Applications

UsesN-4-Tolylpiperazine is useful in the synthesis of 10H-Phenothiazine derivatives as ferroptosis inhibitors. This is useful in the treatment of stroke.