1-(Cyclopropylmethyl)piperazine

HCID 965875CAS 57184-25-5

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Grundinformationen

Standard-SMILES: C1CN(CC2CC2)CCN1
InChIKey: IVLIBVDZIYFXBZ-UHFFFAOYSA-N
Summenformel: C8H16N2
Durchschnittliche Molmasse: 140,23 g/mol
Monoisotopische Masse: 140,13134851

Namen und Bezeichner

Bevorzugter Name: 1-(Cyclopropylmethyl)piperazine
IUPAC: 1-(cyclopropylmethyl)piperazine
Englischer Name: 1-(CYCLOPROPYLMETHYL)PIPERAZINE
Summenformel: C8H16N2
Molmasse: 140.23

Namen und Synonyme

1-(Cyclopropylmethyl)piperazine57184-25-5DTXSID80359487RefChem:226440DTXCID10310541627-571-4MFCD00872053PIPERAZINE, 1-(CYCLOPROPYLMETHYL)-4-(cyclopropylmethyl)piperazine1-(Cyclopropylmethyl)-piperazine1-(Cyclopropylmethyl)piperazine, 97%SY310269

Weitere Namen anzeigen

Cyclopropylmethyl-piperazin-1-N-(Cyclopropylmethyl)piperazine1-(CYCLOPROPYLMETHYL)PIPERAZINE 97[(Piperazin-1-yl)methyl]cyclopropane1-(Cyclopropylmethyl)piperazine - [C13216]1-(cyclopropylmethyl)piperazine(SALTDATA: FREE)1-(CYCLOPROPYLMETHYL)PIPERAZINE 97 ISO 9001：2015 REACH1-(Cyclopropylmethyl)piperazine, 97% colorless to yellow liquid

(cyclopropylmethyl)piperazine4-(Cyclopropylmethyl)piperazine; N-(Cyclopropylmethyl)piperazine1-CyclopropylmethylpiperazineAMY5266BCP11899FT-06907274-(Cyclopropylmethyl)piperan-cyclopropylmethylpiperazine

Datenbank-Bezeichner

CAS: 57184-25-5
PubChem CID: 965875
DTXSID: DTXSID80359487
UNII: 43CFX85V36
EC Number: 627-571-4
Nikkaji: J526.839G

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 15,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 10
Formalladung: 0
Komplexität: 104

Physikochemische Eigenschaften

Siedepunkt: 68 °C/3.5 · 68 °C/3.5 mmHg
Dichte: 0.943 g/mL · 0.943 g/mL at 25 °C
Brechungsindex: 20 · n20/D 1.489
Flammpunkt: 171 °F · 171 °F
storage temp.: 2 · 2-8°C
pka: 9.25 · 9.25±0.10(Predicted)
Aggregatzustand: liquid
Farbe: Light brown
InChI: InChI=1S/C8H16N2/c1-2-8(1)7-10-5-3-9-4-6-10/h8-9H,1-7H2
InChIKey: IVLIBVDZIYFXBZ-UHFFFAOYSA-N
SMILES: N1(CC2CC2)CCNCC1
CAS Datenbank: 57184 · 57184-25-5

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]

P264+P265, P280, P305+P354+P338, and P317 (click each P-code to see the statement)

Aggregated GHS information provided per 42 reports by companies from 3 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Hazard Classes and CategoriesEye Dam. 1 (100%)

Sicherheitsdaten

wgk: 2
ridadr: UN 1993 / PGIII
hs_code: 2933599590
risk_code: 41
hazard_code: Xi
hazard_note: Irritant
safety_code: 26-36/39
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Eye Dam. 1

Chemie und Industrie

Anwendungen · 1 Eintrag

Verwenden1-(Cyclopropylmethyl)piperazine is a compound involved in the preparation of N-substituted piperazinopyridylsteroid derivatives as abiraterone analogs that inhibit growth and induce pro-apoptosis in human hormone-independent prostate cancer cell lines.