1-Cyclopropylpiperazine

HCID 4742004CAS 20327-23-5

Substructure search Find similar structures

Basic information

Standard SMILES: C1CN(C2CC2)CCN1
InChIKey: HNZJIWIXRPBFAN-UHFFFAOYSA-N
Molecular formula: C7H14N2
Average molar mass: 126.2 g/mol
Monoisotopic mass: 126.11569845

Names & identifiers

Preferred name: 1-Cyclopropylpiperazine
IUPAC: 1-cyclopropylpiperazine
English name: 1-Cyclopropylpiperazine
Molecular formula: C7H14N2
Molecular weight: 126.2

Names & synonyms

1-Cyclopropylpiperazine20327-23-5DTXSID20406303RefChem:229876DTXCID30357155807-993-7Piperazine, 1-cyclopropyl-MFCD062548051-CYCLOPROPYL-PIPERAZINEcyclopropyl piperazineN-CYCLOPROPYLPIPERAZINE(Piperazin-1-yl)cyclopropane

Show more names

1-Cyclopropylpiperazine >(Piperazin-1-yl)cyclopropane1-(Cyclopropyl Phenyl)Piperazine1-Cyclopropylpiperazine - [C14363]1-Cyclopropylpiperazine ISO 9001：2015 REACH

cyclopropylpiperazinecyclopropylpiper-azinen-cyclopropyl-piperazineN-cyclopropyl piperazinePiperazine,1-cyclopropyl-SCHEMBL63548SCHEMBL188355SCHEMBL894571

Database identifiers

CAS: 20327-23-5
PubChem CID: 4742004
DTXSID: DTXSID20406303
EC Number: 807-993-7

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 15.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 93.1

Physicochemical properties

Boiling point: 43 °C/7mm · 43°C/7mm
Density: 0.94 · 0.94
refractive index: 1.4804 · 1.4804
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
form: clear liquid
pka: 9.23 · 9.23±0.10(Predicted)
color: Colorless to Light yellow
InChI: InChI=1S/C7H14N2/c1-2-7(1)9-5-3-8-4-6-9/h7-8H,1-6H2
InChIKey: HNZJIWIXRPBFAN-UHFFFAOYSA-N
SMILES: N1(C2CC2)CCNCC1
Symbol(GHS): 5 · GHS05
Signal word: Danger
Hazard statements: 314 · H314-H227
Precautionary statements: 501 · P501-P210-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405
Hazard Codes: Xi
RIDADR: 3267 · 3267
HazardClass: 8 · 8
PackingGroup: Ⅲ
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]

P260, P261, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 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 CategoriesAcute Tox. 4 (60%)

Safety data

ridadr: 3267
hs_code: 2933599590
Signal word: Danger
Symbol(GHS): GHS05
hazard_code: Xi
hazard_class: 8
packing_group: Ⅲ
Hazard statements: H314-H227
Precautionary statements: P501-P210-P264-P280-P370+P378-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P405

Chemistry & industry

Applications · 1 item

Uses1-cyclopropylpiperazine is a piperazine derivative known in the literature by synonyms such as N-cyclopropylpiperazine and 4-cyclopropylpiperazine. It has been used in the preparation of some tri- and tetrasubstituted ureas with histamine H3 antagonist receptor activity, 3-amido-4- anilinoquinolines series as CSF-1R kinase inhibitors, for the synthesis of cyclopropyl amines as modulators of the histamine H3 receptor, sulfonamide compounds as cysteine protease inhibitors, N-oxides as antibacterial agents and in the treatment of the disease caused by helicobacter infection[1].