2-(Propan-2-yl)piperazine

HCID 558976

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Basic information

CAS: 84468-53-1
Standard SMILES: CC(C)C1CNCCN1
InChIKey: HBCSNWKQNPKIHK-UHFFFAOYSA-N
Molecular formula: C7H16N2
Average molar mass: 128.22 g/mol
Monoisotopic mass: 128.13134852

Names & identifiers

Preferred name: 2-(Propan-2-yl)piperazine
IUPAC: 2-propan-2-ylpiperazine
English name: 2-Isopropyl-piperazine
Molecular formula: C7H16N2
Molecular weight: 128.22

Names & synonyms

84468-53-12-(PROPAN-2-YL)PIPERAZINERefChem:462016804-501-22-Isopropylpiperazine2-propan-2-ylpiperazineMFCD07373042(2R)-2-propan-2-ylpiperazine2-ISOPROPYL-PIPERAZINEracemic 2-isopropylpiperazineSCHEMBL193923SCHEMBL194131

Show more names

2-ISOPROPYLPIPERAZINE-2HCl2-(1-Methylethyl)piperazinePiperazine, 2-(1-methylethyl)-2-Isopropylpiperazine dihydrochloride

F2147-0828SCHEMBL2911557AKOS006287262AB36138AB36140AB36142AT22713SY023931

Database identifiers

CAS: 84468-53-1
PubChem CID: 558976
EC Number: 804-501-2
Nikkaji: J1.428.039A

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 24.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 81

Physicochemical properties

Boiling point: 184.1 · 184.1±8.0 °C(Predicted)
Density: 0.851 · 0.851±0.06 g/cm3(Predicted)
storage temp.: Store at Room Tem.
pka: 9.21 · 9.21±0.40(Predicted)
Symbol(GHS): 7 · GHS07,GHS09
Signal word: Warning
Hazard statements: 411 · H411-H319
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P
Hazard Codes: Xi
Risk Statements: 36 · 36
Safety Statements: 26 · 26
HazardClass: IRRITANT
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H411 (97.4%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P264+P265, P273, P280, P305+P351+P338, P337+P317, P391, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.