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N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine

  • Name N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine
  • EINECS203-041-4
  • CAS No. 102-60-3
  • Density1.1 g/cm3
  • PSA87.40000
  • LogP-0.88640
  • Solubilitymiscible with water
  • Melting Point32 °C
  • FormulaC14H32N2O4
  • Boiling Point369.1 °C at 760 mmHg
  • Molecular Weight292.419
  • Flash Point145.7 °C
  • Transport InformationN/A
  • Appearanceclear colorless to pale yellow viscous liquid
  • Safety36/37-37-24
  • Risk Codes43
  • Molecular Structure
    Molecular Structure of 102-60-3 (N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine)
  • Hazard SymbolsIrritantXi
  • SynonymsIrritantXi
  • Article Data5

N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine Consensus Reports

Reported in EPA TSCA Inventory.

N,N,N',N'-Tetrakis(2-hydroxypropyl)ethylenediamine 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.

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