Grundinformationen
- Standard-SMILES
CN1CCN(N)CC1- InChIKey
RJWLLQWLBMJCFD-UHFFFAOYSA-N- Summenformel
- C5H13N3
- Durchschnittliche Molmasse
- 115,18 g/mol
- Monoisotopische Masse
- 115,11094742
Überblick
1-Amino-4-methylpiperazine is an organic molecular entity.
Namen und Bezeichner
- Bevorzugter Name
- 1-Amino-4-methylpiperazine
- IUPAC
- 4-methylpiperazin-1-amine
- Lokaler Name
- 4-Methylpiperazin-1-amin
- Englischer Name
- 1-Amino-4-methylpiperazine
- Summenformel
- C5H13N3
- Molmasse
- 115.18
Namen und Synonyme
Weitere Namen anzeigen
Datenbank-Bezeichner
- CAS
6928-85-4- PubChem CID
- 81349
- DTXSID
DTXSID3057808- ChEMBL
CHEMBL3560514- ChEBI
CHEBI:230450- UNII
- J5GBT1LFT2
- EC Number
- 230-053-7
- Nikkaji
- J38.964A
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,1
- Polarare Oberfläche (TPSA)
- 32,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 0
- Schwere Atome
- 8
- Formalladung
- 0
- Komplexität
- 66,1
Experimentelle und physikochemische Eigenschaften
Physikochemische Eigenschaften
- Siedepunkt
- 172 · 172-175 °C (lit.)
- Dichte
- 0.957 g/mL · 0.957 g/mL at 25 °C (lit.)
- Dampfdruck
- 1.29 hPa · 1.29hPa at 25℃
- Brechungsindex
- 1.4835 · 1.4835-1.4855
- Flammpunkt
- 62 °C · 62 °C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- water: soluble
- Aggregatzustand
- Viscous Solution
- pka
- 7 · 7+-.0.42(Predicted)
- Farbe
- Clear
- Wasserlöslichkeit
- miscible
- BRN
- 103334 · 103334
- InChI
- 1S/C5H13N3/c1-7-2-4-8(6)5-3-7/h2-6H2,1H3
- InChIKey
- RJWLLQWLBMJCFD-UHFFFAOYSA-N
- SMILES
- CN1CCN(N)CC1
- LogP
- -1.61 at · -1.61 at 25℃
- CAS Datenbank
- 6928 · 6928-85-4(CAS DataBase Reference)
- NIST chemische Informationen
- 1 · 1-Amino-4-methylpiperazine(6928-85-4)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H302 (32%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+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 125 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: 1-Piperazinamine, 4-methyl-
Status: Active Update: 16-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/19774
1-Amino-4-methylpiperazine: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 3
- ridadr
- 2733
- hs_code
- 29335995
- risk_code
- 36/37/38-20/21/22
- hazard_code
- Xi,Xn
- safety_code
- 24/25-36-26
- hazard_class
- 3
- packing_group
- III
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Anwendungen
Verwenden1-Amino-4-methylpiperazine has been used:in synthesis of pyrazolo-pyrazine, -pyridine derivatives and 2-[(4-methylpiperazin-1-yl)iminomethyl]phenolas a solvating and stabilizing agent in the preparation of uniform Ag nanoparticles (<10nm)synthesis of N-(4-Fluorobenzylidene)-4-methylpiperazin1-aminesynthesis of 4-Methyl-N-(3,4,5-trimethoxybenzylidene) piperazin-1-aminesynthesis of N-(3,4-Dichlorobenzylidene)-4- methylpiperazin-1-aminesynthesis of N-(4-(Diethylamino)benzylidene)-4- methylpiperazin-1-aminesynthesis of N-(2,5-Dimethoxybenzylidene)-4- methylpiperazin-1-aminesynthesis of 4-Methyl-N-((5-nitrofuran-2- yl)methylene)piperazin-1-amine
Darstellung
synthetische1-Amino-4-methylpiperazine is obtained from piperazine hexahydrate through the steps of methylation, hydrolysis, nitrosation and reduction.1-Amino-4-methylpiperazine is synthesized by chlorination of methyl(diethanol)amine (I) and subsequent cyclization of the di(chloroethyl)amine (II) obtained in aqueous hydrazine.
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