1-(2,6-Xylyl)piperazine

HCID 70538CAS 1012-91-5

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cccc(C)c1N1CCNCC1
InChIKey: JDVUSTNITSGJOH-UHFFFAOYSA-N
Molecular formula: C12H18N2
Average molar mass: 190.28 g/mol
Monoisotopic mass: 190.14699858

Names & identifiers

Preferred name: 1-(2,6-Xylyl)piperazine
IUPAC: 1-(2,6-dimethylphenyl)piperazine
English name: 1-(2,6-Dimethylphenyl)piperazine
Molecular formula: C12H18N2
Molecular weight: 190.28

Names & synonyms

1-(2,6-dimethylphenyl)piperazine1012-91-51-(2,6-Xylyl)piperazineEINECS 213-791-4DTXSID70143776RefChem:420697DTXCID3066267213-791-4Piperazine, 1-(2,6-dimethylphenyl)-Piperazine, 1-(2,6-xylyl)-MFCD000380091-(2,6-dimethyl-phenyl)-piperazine

Show more names

Dimethylphenylpiperazine1-(2,6-Dimethylphenyl)piperazine,90%1-(2,6-Dimethylphenyl)piperazine 97%

6FD6M9XAW2SCHEMBL336283SCHEMBL1448499BAA012914-(2,6-Dimethylphenyl) piperazineGS1417AKOS003884887FS-1658

Database identifiers

CAS: 1012-91-5
PubChem CID: 70538
DTXSID: DTXSID70143776
UNII: 6FD6M9XAW2
EC Number: 213-791-4
Nikkaji: J217.131G

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 165

Physicochemical properties

Boiling point: 92 °C · 92 °C
Density: 0.999 · 0.999±0.06 g/cm3(Predicted)
pka: 8.96 · 8.96±0.10(Predicted)
CAS DataBase Reference: 1012 · 1012-91-5(CAS DataBase Reference)
FDA UNII: 6 FD6M9XAW2 · 6FD6M9XAW2
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 335 · H335-H319-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Hazard Codes: Xi
Risk Statements: 36 · 36/37/38-36
Safety Statements: 26 · 26-36/37/39
Hazard Note: Irritant

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): 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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

risk_code: 36/37/38-36
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/37/39
Hazard statements: H335-H319-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362