N-(2-(Dimethylamino)ethyl)-N,N',N'-trimethyl-1,2-ethandiamin
Pentamethyldiethylenetriamine
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Grundinformationen
- CAS
3030-47-5- Standard-SMILES
CN(C)CCN(C)CCN(C)C- InChIKey
UKODFQOELJFMII-UHFFFAOYSA-N- Summenformel
- C9H23N3
- Durchschnittliche Molmasse
- 173,3 g/mol
- Monoisotopische Masse
- 173,18919775
Überblick
Pentamethyldiethylenetriamine is a polyazaalkane. It is functionally related to a diethylenetriamine.
Namen und Bezeichner
- Bevorzugter Name
- Pentamethyldiethylenetriamine
- IUPAC
- N'-[2-(dimethylamino)ethyl]-N,N,N'-trimethylethane-1,2-diamine
- Lokaler Name
- N-(2-(Dimethylamino)ethyl)-N,N',N'-trimethyl-1,2-ethandiamin
- Englischer Name
- Pentamethyldiethylenetriamine
- Summenformel
- C9H23N3
- Molmasse
- 173.3
Namen und Synonyme
3030-47-51,1,4,7,7-PentamethyldiethylenetriaminePentamethyldiethylenetriaminePMDETAPentamethyldiethylenetriaminekpmdienBis(2-dimethylaminoethyl)(methyl)amine2,5,8-Trimethyl-2,5,8-triazanonaneN,N',N''-PentamethyldiethylenetriamineN,N,N',N',N''-PentamethyldiethylenetriamineDiethylenetriamine, 1,1,4,7,7-pentamethyl-NSC 65659
Weitere Namen anzeigen
PMDTAN1-(2-(DiMethylaMino)ethyl)-N1,N2,N2-triMethylethane-1,2-diaMinePMDPTAFENTACAT 5entamethyldiethylenetriamine1,1,4,7,7-PentamethyldiethylentriaminN,N,N',N'',N''-Pentamethyldiethylenetriamine
DTXSID7029249EINECS 221-201-11,2-Ethanediamine, N-[2-(dimethylamino)ethyl]-N,N',N'-trimethyl-BRN 17413963274UTY3HLNSC-65659DTXCID109249N,N,N',N',N"-Pentamethyldiethylenetriamine
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 0,3
- Polarare Oberfläche (TPSA)
- 9,7 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 6
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 89,9
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Amines, Aliphatic
Vapor Pressure0.3 [mmHg]
Physical Description
Liquid
Colorless to pale yellow liquid; [Alfa Aesar MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 20 °C · −20 °C(lit.)
- Siedepunkt
- 198 °C · 198 °C(lit.)
- Dichte
- 0.83 g/mL · 0.83 g/mL at 25 °C(lit.)
- Dampfdruck
- 0.23 mm · 0.23 mm Hg ( 20 °C)
- Brechungsindex
- 20 · n20/D 1.442(lit.)
- Flammpunkt
- 128 °F · 128 °F
- storage temp.
- 30 °C · Store below +30°C.
- Aggregatzustand
- Powder
- pka
- 8.84 · 8.84±0.38(Predicted)
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
H302: Harmful if swallowed [Warning Acute toxicity, oral]
P260, P262, P264, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P330, P361+P364, P363, P405, and P501 (click each P-code to see the statement)
Danger
H302 (98%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P262, P264, P264+P265, P270, P271, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)
Gefahrenhinweise
Regulatory Information
Chemical: 1,2-Ethanediamine, N-[2-(dimethylamino)ethyl]-N,N',N'-trimethyl-
1,2-Ethanediamine, N1-[2-(dimethylamino)ethyl]-N1,N2,N2-trimethyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Ethanediamine, N1-[2-(dimethylamino)ethyl]-N1,N2,N2-trimethyl- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
REACH registered substance: Bis(2-dimethylaminoethyl)(methyl)amine (EC: 221-201-1)
1,2-Ethanediamine, N-[2-(dimethylamino)ethyl]-N,N',N'-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Reversible liver toxicity and developmental toxicity (considered secondary to maternal toxicity) observed in 2-generation oral study of rats (LOAEL's of 100 mg/kg/day for parental animals and 300 mg/kg/day for developmental effects); [EPA - TSCATS] Oral LD50 (rat) = 1,630 uL/kg; [RTECS] Causes burns; Harmful by ingestion; Toxic by skin absorption; [Alfa Aesar MSDS]
Hazard Classes and Categories
Chemie und Industrie
Verwendung und Herstellung
Uses
Used to formulate adhesives-sealants, paints-coatings-thinners, polymers, and laboratory chemicals, to make fine and large scale chemicals, flexible and rigid foams, and rubber; [ECHA REACH Registrations]
Painting (Pigments, Binders, and Biocides) [Category: Paint]
U.S. Production2023: 1,000,000 - <5,000,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesCatalyst
General Manufacturing Information
Plastics Material and Resin Manufacturing
1,2-Ethanediamine, N1-[2-(dimethylamino)ethyl]-N1,N2,N2-trimethyl-: ACTIVE
Anwendungen
VerwendenUsed as ligand in NMR study of complexation/aggregation with neopentyllithium1 and in the study of ligand effects on the selectivity of CO2 incorporation into α,ω-diynes
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