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| CAS No.: | 102-60-3 |
|---|---|
| Name: | N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine |
| Molecular Structure: | |
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| Formula: | C14H32N2O4 |
| Molecular Weight: | 292.419 |
| Synonyms: | 2-Propanol,1,1',1'',1'''-(ethylenedinitrilo)tetra- (6CI,7CI,8CI);1,1',1'',1'''-(1,2-Ethanediyldinitrilo)tetrakis[2-propanol];1,1',1'',1'''-(Ethylenedinitrilo)tetra(2-propanol);1,1',1'',1'''-(Ethylenedinitrilo)tetrakis(2-propanol);Adeka Quadrol;ENTPROL;EPD 300;Edetol;Laprol 294;N,N,N',N'-Tetra(2-hydroxypropyl)ethylenediamine;N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine;N,N,N',N'-Tetrakis(b-hydroxypropyl)ethylenediamine;NP 300;NSC 369219;Neutrol;Neutrol TE;Newpol NP 300;Quadrol;Quadrol L;THPE;Tetrakis(2-hydroxypropyl)ethylenediamine; |
| EINECS: | 203-041-4 |
| Density: | 1.1 g/cm3 |
| Melting Point: | 32 °C |
| Boiling Point: | 369.1 °C at 760 mmHg |
| Flash Point: | 145.7 °C |
| Solubility: | miscible with water |
| Appearance: | clear colorless to pale yellow viscous liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 43 |
| Safety: | 36/37-37-24 |
| PSA: | 87.40000 |
| LogP: | -0.88640 |
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Specification
The IUPAC name of Quadrol is 1-[2-[bis(2-hydroxypropyl)amino]ethyl-(2-hydroxypropyl)amino]propan-2-ol. With the CAS registry number 102-60-3, it is also named as 1,1',1'',1'''-(Ethylenedinitrilo)tetra-2-propanol. The classification codes are Agricultural Chemical; Pharmaceutic aid [alkalizing agent]; Unspecified / Unclassified pesticide. It is clear colorless to pale yellow viscous liquid which is miscible with water. And the water solution appears alkalescent. What's more, Quadrol is used as complexing agent of chemical copper plating. When heated to decomposition it emits toxic fumes of NOx. Additioanlly, this chemical should be sealed in the container and stored in the cool and dry place.
The other characteristics of Quadrol can be summarized as: (1)ACD/LogP: 0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.47; (4)ACD/LogD (pH 7.4): -0.55; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 5.85; (9)#H bond acceptors: 6; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 15; (12)Index of Refraction: 1.516; (13)Molar Refractivity: 80.32 cm3; (14)Molar Volume: 265.6 cm3; (15)Polarizability: 31.84×10-24 cm3; (16)Surface Tension: 47.3 dyne/cm; (17)Enthalpy of Vaporization: 71.26 kJ/mol; (18)Vapour Pressure: 5.99E-07 mmHg at 25°C; (19)Rotatable Bond Count: 11; (20)Exact Mass: 292.236208; (21)MonoIsotopic Mass: 292.236208; (22)Topological Polar Surface Area: 87.4; (23)Heavy Atom Count: 20; (24)Complexity: 199.
When you are using this chemical, please be cautious about it as the following:
It may cause sensitization by skin contact, so people should avoid contact with skin. If you want to contact this product, you must wear suitable protective clothing and gloves.
People can use the following data to convert to the molecule structure.
1. SMILES:OC(C)CN(CC(O)C)CCN(CC(O)C)CC(O)C
2. InChI:InChI=1/C14H32N2O4/c1-11(17)7-15(8-12(2)18)5-6-16(9-13(3)19)10-14(4)20/h11-14,17-20H,5-10H2,1-4H3
3. InChIKey:NSOXQYCFHDMMGV-UHFFFAOYAN
The following are the toxicity data which has been tested.
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mammal (species unspecified) | LD50 | unreported | 3900mg/kg (3900mg/kg) | Farm Chemicals Handbook. Vol. -, Pg. C258, 1991. | |
| rat | LD | intravenous | > 500mg/kg (500mg/kg) | Dissertation Abstracts International, B: The Sciences and Engineering. Vol. 52, Pg. 762, 1991. | |
| rat | LD | oral | > 500mg/kg (500mg/kg) | Dissertation Abstracts International, B: The Sciences and Engineering. Vol. 52, Pg. 762, 1991. |