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3,6,9-Triazaundecan-1,11-diamin
TETRAETHYLENEPENTAMINE · Tetren · Tetraethyenepentamine · N1-(2-aMinoethyl)-N2-(2-((2-aMinoethyl)aMino)ethyl)ethane-1,2-diaMine · 2-Ethanediamine · deh26 · TETRENE · TETRAEN
Identifikatoren & physikalische Daten
| CAS No. | 112-57-2 |
|---|---|
| Summenformel | C8H23N5 |
| Durchschnittliche Molmasse | 189,3 g/mol |
| Monoisotopische Masse | 189,19534574 g/mol |
| SMILES | NCCNCCNCCNCCN |
| InChIKey | FAGUFWYHJQFNRV-UHFFFAOYSA-N |
| PubChem CID | 8197 |
| ChEMBL | CHEMBL138297 |
| ChEBI | CHEBI:49798 |
| EC No. | 203-986-2 |
| DTXSID | DTXSID7026108 |
| Lokaler Name | 3,6,9-Triazaundecan-1,11-diamin |
Chemische & physikalische Eigenschaften
| XLogP | -2,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 88,1 |
| H-Brücken-Donoren | 5 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 10 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 78,6 |
| Stoffklassen | Nitrogen Compounds -> Amines, AliphaticCorrosives |
| Arzneimittel | Pharmaceuticals -> Used in SwitzerlandPharmaceuticals -> Listed in ZINC15 |
| pH | ALKALINE11.8 (20g/l, H2O, 20℃) |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | log Kow= 1.503-3.16 (calculated) |
| Geruch | AMMONIACALDIAGREEABLE, PENETRATING |
| Dichte | 0.998 at 68 °F (USCG, 1999) - Less dense than waterwill float0.9980 @ 20 °C/20 °CBulk density 8.3 lb/galRelative density (water = 1): 0.990.998 @25 °C0.998 g/mL at 25 °C (lit.) |
| Viscosity | 96.2 cP @ 20 °C96.9 mm²/s at 20 °C |
| Color/Form | VISCOUS, HYGROSCOPIC LIQUIDYellow liquid |
| Löslichkeit | greater than or equal to 100 mg/mL at 72 °F (NTP, 1992)SOL IN MOST ORGANIC SOLVENTS & WATERSolubility in water: miscible6540g/lSOLUBLE |
| Flammpunkt | 325 °F (NTP, 1992)163 °C325 °F (163 °C) (OPEN CUP)163 °C o.c.365 °F |
| Siedepunkt | 644 °F at 760 mmHg (NTP, 1992)340.30 °C @ 760 MM HG320 - 340 °C333 °C @760 [mm Hg] |
| Schmelzpunkt | -40 °C (lit.) |
| Dampfdichte | 6.53 (vs air) |
| Dampfdruck | <0.01 mm Hg ( 20 °C) |
| Brechungsindex | n20/D 1.505(lit.) |
| Lagerbedingungen | Store below +30°C. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | pK1:2.98(+5)pK2:4.72(+4)pK3:8.08(+3)pK4:9.10(+2)pK5:9.67(+1) (25°C,) |
| Farbe | Clear |
| Geruch | ammonia odor |
| Explosionsgrenze | 0.1-15%(V) |
| BRN | 506966 |
| Henry-Konstante | 3.3×1014 mol/(m3Pa) at 25℃, HSDB (2015) |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents, mineral acids, halogenated hydrocarbons, hydrogen peroxide. |
| InChI | 1S/C8H23N5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h11-13H,1-10H2 |
| InChIKey | FAGUFWYHJQFNRV-UHFFFAOYSA-N |
| SMILES | NCCNCCNCCNCCN |
| CAS Datenbank | 112-57-2(CAS DataBase Reference) |
| NIST chemische Informationen | Tetraethylenepentamine(112-57-2) |
| EPA chemische Informationen | Tetraethylenepentamine (112-57-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302: Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P270, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P333+P317, P362+P364, P363, P391, P405, and P501 (click each P-code to see the statement)This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1834) of reports.H302+H312 (10.6%): Harmful if swallowed or in contact with skin [Warning Acute toxicity, oralacute toxicity, dermal] |
|---|---|
| Regulatorische Informationen | Chemical: 1,2-Ethanediamine, N-(2-aminoethyl)-N'-[2-[(2-aminoethyl)amino]ethyl]-1,2-Ethanediamine, N1-(2-aminoethyl)-N2-[2-[(2-aminoethyl)amino]ethyl]- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Ethanediamine, N1-(2-aminoethyl)-N2-[2-[(2-aminoethyl)amino]ethyl]- 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)Tetraethylenepentamine: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| Weitere Sicherheitsinformationen | IMAP assessments - Selected linear polyethyleneamines: Human health tier II assessment |
| DOT-Kennzeichnung | Corrosive |
| Brandgefahren | Special Hazards of Combustion Products: Ammonia and toxic oxides of nitrogen may form in fires. (USCG, 1999)· Combustible material: may burn but does not ignite readily.Combustible. Gives off irritating or toxic fumes (or gases) in a fire. |
| Brandpotenzial | Slight, when exposed to heat or flame. |
| Gesundheitsgefahren | Inhalation may cause nausea and slight irritationcompound is a sensitizer, and prolonged contact may cause asthma. Ingestion can cause burns of mouth, esophagus, and possibly stomach. Contact with eyes or skin may cause burns. Repeated skin contact may cause dermatitis. (USCG, 1999) |
Anwendungen & Verwendung
Verwenden
Solvent for sulfur, acid gases, and various resins and dyes; saponifying agent for acidic materials; manufacture of synthetic rubber; dispersant in motor oils; intermediate for oil additives.