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N'-(3-Aminopropyl)-N,N-dimethyl-propan-1,3-diamin
DMAPAPA · DDPTA · Brn 2715375 · Einecs 234-148-4 · N2-(2-Aminopropyl) · N N'-DIMETHYLDIPROPY · N,N-Dimethyldipropyltriamine · N'-(3-aminopropyl)-N,N-dimethyl-
Identifikatoren & physikalische Daten
| CAS No. | 10563-29-8 |
|---|---|
| Summenformel | C8H21N3 |
| Durchschnittliche Molmasse | 159,27 g/mol |
| Monoisotopische Masse | 159,17354767 g/mol |
| SMILES | CN(C)CCCNCCCN |
| InChIKey | OMKZWUPRGQMQJC-UHFFFAOYSA-N |
| PubChem CID | 82728 |
| ChEMBL | CHEMBL1462995 |
| EC No. | 234-148-4 |
| DTXSID | DTXSID2033445 |
| Lokaler Name | N'-(3-Aminopropyl)-N,N-dimethyl-propan-1,3-diamin |
Chemische & physikalische Eigenschaften
| XLogP | -0,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 41,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 7 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 73,7 |
| Siedepunkt | 220 °C(lit.) |
| Dichte | 0.883 g/mL at 25 °C(lit.) |
| Dampfdruck | 3Pa at 20℃ |
| Brechungsindex | n20/D 1.4630(lit.) |
| Flammpunkt | 220 °F |
| pKa (Säurekonstante) | 10.32±0.19(Predicted) |
| Löslichkeit | 1000g/L at 25℃ |
| InChI | 1S/C8H21N3/c1-11(2)8-4-7-10-6-3-5-9/h10H,3-9H2,1-2H3 |
| InChIKey | OMKZWUPRGQMQJC-UHFFFAOYSA-N |
| SMILES | CN(C)CCCNCCCN |
| LogP (Verteilungskoeffizient) | -0.56 at 25℃ |
| EPA chemische Informationen | 1,3-Propanediamine, N'-(3-aminopropyl)-N,N-dimethyl- (10563-29-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P260, P261, P264, P264+P265, P270, P272, 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, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 349 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 1,3-Propanediamine, N'-(3-aminopropyl)-N,N-dimethyl-REACH registered substance: N'-(3-aminopropyl)-N,N-dimethylpropane-1,3-diamine (EC: 234-148-4)N'-(3-aminopropyl)-N,N-dimethyl-1,3-Propanediamine: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right. |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2735 8/PG 2 |
| RTECS-Nr. | TX7000000 |
| R-Sätze (R) | 21/22-34 |
| Toxizität | LD50 orl-unr: 1432 mg/kg GTPZAB 28(11),50,84 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 23-26-36/37/39-45 |
| Gefahrenklasse | 8Acute Tox. 4 DermalAcute Tox. 4 OralAquatic Chronic 2Skin Corr. 1ASkin Sens. 1 |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
N,N-Dimethyldipropylenetriamine (DP) may be used to:Prepare poly(ethylene oxide)-b-poly(3-caprolactone-g-DP) [PEO-b-P(CL-g-DP)], a biodegradable amphiphilic polycationic copolymer.Develop a second generation aminoglycoside 6′-N-acetyltransferase (AAC(6′) inhibitor.Prepare a hydrophilic gemcitabine conjugated cationic copolymer, which can be employed in the treatment pancreatic cancer.