1-(3-Pyrrolidinopropyl)Piperazine

HCID 2737252CAS 224309-80-2

Substructure search Find similar structures

Basic information

Standard SMILES: C1CCN(CCCN2CCNCC2)C1
InChIKey: JAXVYOQQRAMPQD-UHFFFAOYSA-N
Molecular formula: C11H23N3
Average molar mass: 197.32 g/mol
Monoisotopic mass: 197.18919775

Names & identifiers

Preferred name: 1-(3-Pyrrolidinopropyl)Piperazine
IUPAC: 1-(3-pyrrolidin-1-ylpropyl)piperazine
English name: 1-[3-(1-Pyrrolidino)propyl]piperazine
Molecular formula: C11H23N3
Molecular weight: 197.32

Names & synonyms

224309-80-21-(3-Pyrrolidinopropyl)PiperazineDTXSID20371946RefChem:224610DTXCID803229791-(3-(pyrrolidin-1-yl)propyl)piperazine1-(3-pyrrolidin-1-ylpropyl)piperazine1-[3-(pyrrolidin-1-yl)propyl]piperazine1-[3-(1-pyrrolidino)propyl]piperazineMFCD013208951-(3-pyrrolidinopropyl)-piperazine1-[3-(1-pyrrolidinyl)propyl]piperazine

Show more names

Piperazine, 1-[3-(1-pyrrolidinyl)propyl]-1-[3-(Pyrrolidin-1-yl)prop-1-yl]piperazine97%1-[3-(Pyrrolidin-1-yl)prop-1-yl]piperazine 97%

1-[3-(Pyrrolidin-1-yl)prop-1-yl]piperazineSCHEMBL42822SCHEMBL1934187JAXVYOQQRAMPQD-UHFFFAOYSA-NAKOS009158646PS-58331-(3-pyrrolidin-1-yl-propyl)-piperazineBP-11363

Database identifiers

CAS: 224309-80-2
PubChem CID: 2737252
DTXSID: DTXSID20371946
EC Number: 671-054-6

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 149

Physicochemical properties

Boiling point: 106 · 106-108
Density: 0.969 · 0.969±0.06 g/cm3(Predicted)
pka: 10.39 · 10.39±0.20(Predicted)
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 302 · H302-H315-H318-H335
Precautionary statements: 261 · P261-P280-P305+P351+P338
Hazard Codes: Xi
Hazard Note: Irritant
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, 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.；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.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (50%)；Acute Tox. 4 (50%)；Skin Irrit. 2 (100%)；Eye Dam. 1 (50%)；Eye Irrit. 2 (50%)；Acute Tox. 4 (50%)；STOT SE 3 (100%)