N-(2-(Dimethylamino)ethyl)-N,N',N'-trimethyl-1,2-ethandiamin

PMDETA · PMDTA · N1-(2-(DiMethylaMino)ethyl)-N1,N2,N2-triMethylethane-1,2-diaMine · PMDPTA · FENTACAT 5 · entamethyldiethylenetriamine · 1,1,4,7,7-Pentamethyldiethylentriamin · 1,1,4,7,7-PENTAMETHYLDIETHYLENETRIAMINE

https://huagongshe.com/de/chemical/18196

Molekülstruktur von N-(2-(Dimethylamino)ethyl)-N,N',N'-trimethyl-1,2-ethandiamin

Identifikatoren & physikalische Daten

CAS No.	3030-47-5
Summenformel	C9H23N3
Durchschnittliche Molmasse	173,3 g/mol
Monoisotopische Masse	173,18919774 g/mol
SMILES	CN(C)CCN(C)CCN(C)C
InChIKey	UKODFQOELJFMII-UHFFFAOYSA-N
PubChem CID	18196
ChEMBL	CHEMBL3183641
ChEBI	CHEBI:39475
EC No.	221-201-1
DTXSID	DTXSID7029249
Lokaler Name	N-(2-(Dimethylamino)ethyl)-N,N',N'-trimethyl-1,2-ethandiamin

Chemische & physikalische Eigenschaften

XLogP	0,3
Polarare Oberfläche (TPSA)	9,7
H-Brücken-Donoren	0
H-Brücken-Akzeptoren	3
Frei drehbare Bindungen	6
Schwere Atome	12
Formalladung	0
Komplexität	89,9
Stoffklassen	Nitrogen Compounds -> Amines, Aliphatic
Dampfdruck	0.3 [mmHg]0.23 mm Hg ( 20 °C)
Physical Description	LiquidColorless to pale yellow liquid[Alfa Aesar MSDS]
Schmelzpunkt	−20 °C(lit.)
Siedepunkt	198 °C(lit.)
Dichte	0.83 g/mL at 25 °C(lit.)
Brechungsindex	n20/D 1.442(lit.)
Flammpunkt	128 °F
Lagerbedingungen	Store below +30°C.
Aggregatzustand	Powder
pKa (Säurekonstante)	8.84±0.38(Predicted)
Farbe	White
Geruch	Fishy, ammoniacal odor
pH	11.9 (100g/l, H2O, 20℃)
Explosionsgrenze	1.1-5.7%(V)
Löslichkeit	Miscible in water.
BRN	1741396
Stabilität	Stable. Flammable. Incompatible with strong oxidizing agents, strong acids.
InChI	1S/C9H23N3/c1-10(2)6-8-12(5)9-7-11(3)4/h6-9H2,1-5H3
InChIKey	UKODFQOELJFMII-UHFFFAOYSA-N
SMILES	CN(C)CCN(C)CCN(C)C
LogP (Verteilungskoeffizient)	-2.1 at 25℃
CAS Datenbank	3030-47-5(CAS DataBase Reference)
EPA chemische Informationen	1,1,4,7,7-Pentamethyldiethylenetriamine (3030-47-5)

Sicherheit & Vorschriften

GHS-Einstufung	DangerH302: 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)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)
Regulatorische Informationen	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)Status: Active Update: 26-06-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/144511,2-Ethanediamine, N-[2-(dimethylamino)ethyl]-N,N',N'-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Gefahrenübersicht	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 burnsHarmful by ingestionToxic by skin absorption[Alfa Aesar MSDS]
Hazard Classes and Categories	Acute Tox. 4 (98%)Skin corrosion - category 1BFlammable liquids - Category 3Acute Tox. 3 *
Unerwünschte Wirkungen	Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

Anwendungen & Verwendung

Verwenden

Used 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