1-Isopropylpiperazin

1-Isopropylpiperazine

HCID 78013CAS 4318-42-7

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Grundinformationen

Standard-SMILES: CC(C)N1CCNCC1
InChIKey: WHKWMTXTYKVFLK-UHFFFAOYSA-N
Summenformel: C7H16N2
Durchschnittliche Molmasse: 128,22 g/mol
Monoisotopische Masse: 128,13134852

Namen und Bezeichner

Bevorzugter Name: 1-Isopropylpiperazine
IUPAC: 1-propan-2-ylpiperazine
Lokaler Name: 1-Isopropylpiperazin
Englischer Name: 1-Isopropylpiperazine
Summenformel: C7H16N2
Molmasse: 128.22

Namen und Synonyme

1-IsopropylpiperazineisopropylpiperazineRefChem:433380224-345-34318-42-7N-Isopropylpiperazine1-(propan-2-yl)piperazine1-propan-2-ylpiperazine137186-14-21-Isopropyl-piperazineIsopropyl piperazinePiperazine, 1-isopropyl-

Weitere Namen anzeigen

IFLAB-BB F1929-1669TIMTEC-BB SBB004236RARECHEM AH CK 01831-IsopropylpyrazineN-Isopropypiperazine1-isopropyl-piperazin1-(2-PROPYL)PIPERAZINE

n-isopropyl piperazinePiperazine, 1-(1-methylethyl)-1-(1-Methylethyl)piperazineMFCD00167971(1-Isopropyl)piperazine1-(isopropyl)piperazine(methylethyl)piperazineBRN 0103377

Datenbank-Bezeichner

CAS: 4318-42-7
PubChem CID: 78013
DTXSID: DTXSID40195762
ChEMBL: CHEMBL1740581
EC Number: 224-345-3
Nikkaji: J35.450C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 15,3 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 75

Physikochemische Eigenschaften

Siedepunkt: 180 · 180-181 °C (lit.)
Dichte: 0 · 0,896 g/cm3
Brechungsindex: 20 · n20/D 1.4710(lit.)
Flammpunkt: 130 °F · 130 °F
storage temp.: Keep in dark place,Inert atmosphere,Room temperature
Aggregatzustand: Liquid
pka: 9.23 · 9.23±0.10(Predicted)
Wichte: 0.896 · 0.896
Farbe: Clear pale yellow
Wasserlöslichkeit: Slightly soluble in water.
InChI: InChI=1S/C7H16N2/c1-7(2)9-5-3-8-4-6-9/h7-8H,3-6H2,1-2H3
InChIKey: WHKWMTXTYKVFLK-UHFFFAOYSA-N
SMILES: N1(C(C)C)CCNCC1
CAS Datenbank: 4318 · 4318-42-7(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]；H311 (89.4%): Toxic in contact with skin [Danger Acute toxicity, dermal]；H312 (10.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H315 (91.5%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (89.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (89.4%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P332+P317, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 7 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.

Gefahrenhinweise

Hazard Classes and CategoriesFlam. Liq. 3 (100%)；Acute Tox. 3 (89.4%)；Acute Tox. 4 (10.6%)；Skin Irrit. 2 (91.5%)；Eye Irrit. 2 (89.4%)；STOT SE 3 (89.4%)

Sicherheitsdaten

wgk: 3
ridadr: UN 1992 3/PG 3
hs_code: 29339900
RTECS-Nr.: TM0860000
risk_code: 10-21-36/37/38
hazard_code: Xn,F,C,Xi
hazard_note: Irritant
safety_code: 16-26-36
hazard_class: 3
packing_group: III
Speicherklasse: 3 - Flammable liquids
Hazard Classifications: Acute Tox. 3 DermalEye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3