1-Isopropylpiperazin
1-Isopropylpiperazine
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Grundinformationen
- CAS
4318-42-7- 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 StruktureigenschaftenWird ergänzt
- XLogP
- 0,4
- Polarare Oberfläche (TPSA)
- 15,3 Ų
- 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
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
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
- 2933599090
- 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
Chemie und Industrie
Anwendungen
Verwenden1-Isopropylpiperazine is used as pharmaceutical intermediate.
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