N-(3-Aminopropyl)diethanolamine

Base Information

• Chemical Name: N-(3-Aminopropyl)diethanolamine
• CAS No.: 4985-85-7
• Molecular Formula: C7H18N2O2
• Molecular Weight: 162.232
• Hs Code.: 2922199090
• European Community (EC) Number: 225-642-0
• NSC Number: 8172
• UN Number: 3267,1760
• UNII: R21ZI8N14B
• DSSTox Substance ID: DTXSID2044680
• Nikkaji Number: J34.795G
• Wikidata: Q27287690
• ChEMBL ID: CHEMBL3186851
• Mol file: 4985-85-7.mol

Synonyms:N-(3-Aminopropyl)diethanolamine;4985-85-7;(3-Aminopropyl)diethanolamine;Aminopropyldiethanolamine;2,2'-[(3-Aminopropyl)imino]diethanol;Ethanol, 2,2'-[(3-aminopropyl)imino]bis-;N,N-Bis(2-hydroxyethyl)-1,3-diaminopropane;2-[3-aminopropyl(2-hydroxyethyl)amino]ethanol;2,2'-((3-Aminopropyl)imino)diethanol;N,N-Bis(2-hydroxyethyl)-1,3-propanediamine;NSC 8172;Ethanol, 2,2'-(aminopropylimino)-;2-[(3-aminopropyl)-(2-hydroxyethyl)amino]-ethanol;N,N-Bis(hydroxyethyl)trimethylenediamine;UNII-R21ZI8N14B;N,N-Bis(hydroxyethyl)-1,3-propanediamine;N,N-Bis[(hydroxyethyl)trimethylene]diamine;R21ZI8N14B;Aminopropyldiethanolamine (DOT);Ethanol, 2,2'-((3-aminopropyl)imino)di-;N,N-Di(2-hydroxyethyl)-1,3-propanediamine;DTXSID2044680;Ethanol, 2,2'-((3-aminopropyl)imino)bis-;N-(3-Aminopropyl)iminodiethanol;NSC-8172;EINECS 225-642-0;2-[(3-Amino-propyl)-(2-hydroxy-ethyl)-amino]-ethanol;2,2'-(3-aminopropylazanediyl)diethanol;AI3-52554;EC 225-642-0;Ethanol, 2,2'-[(3-aminopropyl)imino]di-;MFCD00047971;diethanolamino propylamine;DI-N-DODECYLSULFOXIDE;WLN: Z3N2Q2Q;SCHEMBL352467;CHEMBL3186851;DTXCID0024680;Ethanol,2'-(aminopropylimino)-;N-(3-amino-propyl)diethanolamine;n-(3-aminopropyl) diethanolamine;NSC8172;bis(2-hydroxyethyl)aminopropylamine;Tox21_301510;2,2'-(3-Aminopropylimino)diethanol;BBL009740;C7-H18-N2-O2;STK796823;AKOS000301248;FS-5382;SB83871;Ethanol,2'-[(3-aminopropyl)imino]di-;3-[bis(2-hydroxyethyl)amino]propylamine;Ethanol,2'-[(3-aminopropyl)imino]bis-;NCGC00256274-01;BP-13041;2,2'-((3-aminopropyl)azanediyl)diethanol;CAS-4985-85-7;n n-bis[(hydroxyethyl)trimethylene]diamine;3-[bis(2-hydroxy-ethyl)amino]-propylamine;A1280;A7416;FT-0629167;n n-bis(2-hydroxyethyl)-1 3-propanediamine;D88406;Etanol, 2,2'-[(3-aminopropil) imino] bis-;N1,N1-bis(2-hydroxyethyl)-1,3-propanediamine;(3-AMINOPROPYL)BIS(2-HYDROXYETHYL)AMINE;Q27287690

Chemical Property of N-(3-Aminopropyl)diethanolamine

Chemical Property:

• Appearance/Colour: colorless liquid with a faint fishlike odor
• Vapor Pressure: 3.45E-05mmHg at 25°C
• Refractive Index: 1.4985 (589.3 nm 27℃)
• Boiling Point: 316.5 °C at 760 mmHg
• PKA: 14.40±0.10(Predicted)
• Flash Point: 145.2 °C
• PSA: 69.72000
• Density: 1.081 g/cm³
• LogP: -0.67790
• Solubility.: Soluble in water
• Water Solubility.: 10g/L at 20℃
• XLogP3: -1.7
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 162.136827821
• Heavy Atom Count: 11
• Complexity: 74.8
• Transport DOT Label: Corrosive

Purity/Quality:

99.9% ^*data from raw suppliers

N-(3-Aminopropyl)diethanolamine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 34
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CN)CN(CCO)CCO
• Uses: N-(3-Aminopropyl)diethanolamine acts as a potential coreactant for enhancing tris(2,2’-bipyridyl)ruthenium(II) electrochemiluminescence.

Technology Process of N-(3-Aminopropyl)diethanolamine

There total 5 articles about N-(3-Aminopropyl)diethanolamine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 80.0%

N-(3-phthalimidopropyl)diethanolamine (118811-21-5) → 2,2'-[(3-aminopropyl)imino]bis-ethanol (4985-85-7)

Guidance literature:

With hydrazine hydrate; In methanol; for 2.5h; Heating;

DOI:10.1016/S0968-0896(03)00273-6

Reference yield: 32.0%

3-[bis(2-hydroxyethyl)amino]propionitrile (17209-72-2) → 2,2'-[(3-aminopropyl)imino]bis-ethanol (4985-85-7)

Guidance literature:

With lithium aluminium tetrahydride; sulfuric acid; In tetrahydrofuran; at 20 ℃; for 8h;

DOI:10.1515/znb-2005-0610

Reference yield:

3-[bis(2-hydroxyethyl)amino]propionitrile (17209-72-2) + ethanol (64-17-5) → 2,2'-[(3-aminopropyl)imino]bis-ethanol (4985-85-7)

Guidance literature:

at 105 ℃; under 95616 Torr; Hydrogenation;

DOI:10.1021/ja01233a019

upstream raw materials:

3-[bis(2-hydroxyethyl)amino]propionitrile

2-(3-bromopropyl)isoindole-1,3-dione

2,2'-iminobis[ethanol]

ethanol

Downstream raw materials:

1-{(E)-3-[Bis-(2-hydroxy-ethyl)-amino]-propylimino}-7-chloro-3-(3,4-dichloro-phenyl)-10-hydroxy-1,3,4,10-tetrahydro-2H-acridin-9-one

1-{(E)-3-[Bis-(2-hydroxy-ethyl)-amino]-propylimino}-7-chloro-10-hydroxy-3-(4-trifluoromethyl-phenyl)-1,3,4,10-tetrahydro-2H-acridin-9-one

1-{(E)-3-[Bis-(2-hydroxy-ethyl)-amino]-propylimino}-7-chloro-3-(2,4-dichloro-phenyl)-1,3,4,10-tetrahydro-2H-acridin-9-one

3-<3-Di-(2-hydroxy-ethyl)-amino-propylamino>-2-chlor-1,4-naphthochinon

Refernces

• 1、 Asseline, Ulysse,Chassignol, Marcel,Draus, Jolanta,Durand, Maurice,Maurizot, Jean-Claude. "Synthesis and properties of oligo-2′-deoxyribonucleotides containing internucleotidic phosphoramidate linkages modified with pendant groups ending with either two amino or two hydroxyl functions". . p. 3499 - 3511. Retrieved 2007/10/03.
• 2、 -. "Hydroformylation of olefins using azoxy-dentated ligands". . . Retrieved 2008/06/13.