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86770-74-3

Basic Information
CAS No.: 86770-74-3
Name: 1-Amino-3,6,9-trioxaundecanyl-11-ol
Molecular Structure:
Molecular Structure of 86770-74-3 (1-Amino-3,6,9-trioxaundecanyl-11-ol)
Formula: C8H19NO4
Molecular Weight: 193.24
Synonyms: 11-Amino-3,6,9-trioxaundecanol;T4EGMA;Tetraethylene glycol monoamine;
EINECS:
Density: 1.068 g/cm3
Melting Point:
Boiling Point: 301.6 °C at 760 mmHg
Flash Point: 136.2 °C
Solubility: soluble in chloroform, dichloromethane, ethyl acetate and methanol
Appearance: pale yellow oil
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 73.94000
LogP: -0.31250
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Specification

The 1-Amino-3,6,9-trioxaundecanyl-11-ol is an organic compound with the formula C8H19NO4. The IUPAC name of this chemical is 2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethanol. With the CAS registry number 86770-74-3, it is also named as Tetraethylene glycol monoamine. The product's categories are Nitric Oxide Reagents; Cross Linking Reagents. It is pale yellow oil which is soluble in chloroform, dichloromethane, ethyl acetate and methanol.

The other characteristics of 1-Amino-3,6,9-trioxaundecanyl-11-ol can be summarized as: (1)ACD/LogP: -2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.95; (4)ACD/LogD (pH 7.4): -3.44; (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): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 12; (12)Index of Refraction: 1.458; (13)Molar Refractivity: 49.41 cm3; (14)Molar Volume: 180.8 cm3; (15)Polarizability: 19.59×10-24 cm3; (16)Surface Tension: 40.1 dyne/cm; (17)Enthalpy of Vaporization: 62.84 kJ/mol; (18)Vapour Pressure: 0.000102 mmHg at 25°C; (19)Rotatable Bond Count: 10; (20)Exact Mass: 193.131408; (21)MonoIsotopic Mass: 193.131408; (22)Topological Polar Surface Area: 73.9; (23)Heavy Atom Count: 13; (24)Complexity: 92.2.

People can use the following data to convert to the molecule structure.
1. SMILES:OCCOCCOCCOCCN
2. InChI:InChI=1/C8H19NO4/c9-1-3-11-5-7-13-8-6-12-4-2-10/h10H,1-9H2 
3. InChIKey:ANOJXMUSDYSKET-UHFFFAOYAA

The following are the toxicity data which has been tested. 

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 8gm/kg (8000mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA"

SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"
National Technical Information Service. Vol. OTS0570546,