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Ethanol,2,2'-[(3-aminopropyl)imino]bis-

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Name

Ethanol,2,2'-[(3-aminopropyl)imino]bis-

EINECS 225-642-0
CAS No. 4985-85-7 Density 1.081 g/cm3
PSA 69.72000 LogP -0.67790
Solubility soluble in water Melting Point N/A
Formula C7H18N2O2 Boiling Point 316.5 °C at 760 mmHg
Molecular Weight 162.232 Flash Point 145.2 °C
Transport Information UN 2735 Appearance colorless liquid with a faint fishlike odor
Safety 26-36/37/39 Risk Codes 34
Molecular Structure Molecular Structure of 4985-85-7 (N-(3-AMINOPROPYL)DIETHANOLAMINE) Hazard Symbols IrritantXi
Synonyms

Ethanol,2,2'-[(3-aminopropyl)imino]di- (6CI,7CI,8CI);(3-Aminopropyl)bis(2-hydroxyethyl)amine;(3-Aminopropyl)diethanolamine;2,2'-[(3-Aminopropyl)imino]diethanol;2-[(3-Aminopropyl)(2-hydroxyethyl)amino]ethanol;3-[Bis(2-hydroxyethyl)amino]propylamine;3-[N,N-(Diethanol)amino]propylamine;N,N-Bis(2-hydroxyethyl)-1,3-diaminopropane;N,N-Bis(2-hydroxyethyl)-1,3-propanediamine;N,N-Bis(2-hydroxyethyl)-3-aminopropylamine;N,N-Di(2-hydroxyethyl)-1,3-propanediamine;N-(3-Aminopropyl)-N,N-bis(2-hydroxyethyl)amine;N-(3-Aminopropyl)-N,N-diethanolamine.;N-(3-Aminopropyl)diethanolamine;N-3-Aminopropyl-N,N-di(2-hydroxyethyl)amine;NSC 8172;[3-(Diethanolamino)propyl]amine;

Article Data 9

Ethanol,2,2'-[(3-aminopropyl)imino]bis- Specification

The Ethanol,2,2'-[(3-aminopropyl)imino]bis-, with the CAS registry number 4985-85-7 and EINECS registry number 225-642-0, has the systematic name of 2,2'-[(3-aminopropyl)imino]diethanol. It is a kind of colorless liquid with a faint fishlike odor, and the molecular formula of the chemical is C7H18N2O2.

The characteristics of Ethanol,2,2'-[(3-aminopropyl)imino]bis- are as followings: (1)ACD/LogP: -1.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -5.03; (4)ACD/LogD (pH 7.4): -3.72; (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: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 24.94 Å2; (13)Index of Refraction: 1.509; (14)Molar Refractivity: 44.8 cm3; (15)Molar Volume: 150 cm3; (16)Polarizability: 17.76×10-24cm3; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.081 g/cm3; (19)Flash Point: 145.2 °C; (20)Enthalpy of Vaporization: 64.67 kJ/mol; (21)Boiling Point: 316.5 °C at 760 mmHg; (22)Vapour Pressure: 3.45E-05 mmHg at 25°C.

Uses of Ethanol,2,2'-[(3-aminopropyl)imino]bis-: It can react with 1,5-dichloro-anthraquinone to produce 1,5-bis-{3-[bis-(2-hydroxy-ethyl)-amino]-propylamino}-anthraquinone. This reaction will need the menstruum dimethylsulfoxide. The reaction time is 15 minutes with heating, and the yield is about 72%.  

You should be cautious while dealing with this chemical. It may cause burns. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCCN(CCCN)CCO
(2)InChI: InChI=1/C7H18N2O2/c8-2-1-3-9(4-6-10)5-7-11/h10-11H,1-8H2
(3)InChIKey: FKJVYOFPTRGCSP-UHFFFAOYAN

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