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4461-39-6

Basic Information
CAS No.: 4461-39-6
Name: N-(2-Hydroxyethyl)-1,3-propanediamine
Article Data: 5
Molecular Structure:
Molecular Structure of 4461-39-6 (N-(2-Hydroxyethyl)-1,3-propanediamine)
Formula: C5H14N2O
Molecular Weight: 118.179
Synonyms: 1,3-Diamino-N-(2-hydroxyethyl)propane;1,3-Diamino-N-(hydroxyethyl)propane;2-[(3-Aminopropyl)amino]ethanol;3-(Hydroxyethylamino)propanamine;Koei 3311;N-(2-Hydroxyethyl)-1,3-diaminopropane;N-(2-Hydroxyethyl)trimethylenediamine;N-(Aminopropyl)ethanolamine;N-(Hydroxyethyl)propane-1,3-diamine;N-(b-Hydroxyethyl)-1,3-diaminopropane;
EINECS: 224-718-0
Density: 0.976 g/cm3
Melting Point: 15-19 °C
Boiling Point: 240.7 °C at 760 mmHg
Flash Point: 99.4 °C
Solubility: miscible with water
Appearance: clear liquid
Hazard Symbols: CorrosiveC
Risk Codes: 34-37-35
Safety: 26-36/37/39-45
Transport Information: UN 2735 8/PG 3
PSA: 58.28000
LogP: 0.00830
Synthetic route
33759-44-3

3-<(2-hydroxyethyl)amino>propionitrile

4461-39-6

2-[(3-aminopropyl)amino]ethanol

Conditions
ConditionsYield
With rhodium(III) oxide; gold oxide; hydrogen at 82 - 83℃; under 15001.5 Torr; for 18h; Pressure;98.2%
With ethanol; ammonia; nickel at 120℃; under 66195.7 Torr; Hydrogenation;
75-21-8

oxirane

109-76-2

Trimethylenediamine

A

4461-39-6

2-[(3-aminopropyl)amino]ethanol

B

10563-27-6

N,N'-bis(2-hydroxyethyl)-1,3-propanediamine

Conditions
ConditionsYield
In methanol at 0℃;A 60%
B 20%
503-29-7

azetidine

141-43-5

ethanolamine

4461-39-6

2-[(3-aminopropyl)amino]ethanol

Conditions
ConditionsYield
With perchloric acid at 25℃; Rate constant; Thermodynamic data; E(a), ΔS(excit.);
4461-39-6

2-[(3-aminopropyl)amino]ethanol

17648-03-2

9,10-Dihydroxy-2,3-dihydro-anthracene-1,4-dione

65271-79-6

1,4-bis({3-[(2-hydroxyethyl)amino]-propyl}amino)-9,10-dihydroanthracene-9,10-dione

Conditions
ConditionsYield
Stage #1: 2-[(3-aminopropyl)amino]ethanol; 9,10-Dihydroxy-2,3-dihydro-anthracene-1,4-dione In acetonitrile at 50℃; for 1h; Inert atmosphere;
Stage #2: With air at 50℃; for 1h;
99%
4461-39-6

2-[(3-aminopropyl)amino]ethanol

23545-42-8

dibromohydrate du N-(bromoethyl-2)diamino-1,3 propane

Conditions
ConditionsYield
Stage #1: 2-[(3-aminopropyl)amino]ethanol With hydrogen bromide In sulfolane at 90 - 119℃;
Stage #2: With phosphorus tribromide In sulfolane at 120℃; for 1h; Product distribution / selectivity;
96%
4461-39-6

2-[(3-aminopropyl)amino]ethanol

55159-49-4

2-(3-aminopropylamino)ethyl bromide

Conditions
ConditionsYield
Stage #1: 2-[(3-aminopropyl)amino]ethanol With hydrogen bromide In ethanol at 13 - 15℃; for 2h;
Stage #2: In methanol for 1h; Time; Reflux;
91%
4461-39-6

2-[(3-aminopropyl)amino]ethanol

110-85-0

piperazine

Conditions
ConditionsYield
With phosphorus pentachloride In tetrachloromethane at 30 - 60℃; for 20h; Inert atmosphere;90%
4461-39-6

2-[(3-aminopropyl)amino]ethanol

methyl 1-(2-fluorophenylmethyl)-1H-indazole-3-carboxylate

1-(2-fluoro-benzyl)-1H-indazole-3-carboxylic acid [3-(2-hydroxy-ethylamino)-propyl]-amide

Conditions
ConditionsYield
at 20℃; for 96h;85%
4461-39-6

2-[(3-aminopropyl)amino]ethanol

3-chloro-8,9-methylenedioxyindeno[1,2-c]isochromene-5,12-dione

3-chloro-5,6-dihydro-6-(3-((2-hydroxyethyl)amino)-propyl)-8,9-methylenedioxy-5,11-dioxo-11H-indeno[1,2-c]isoquinoline

Conditions
ConditionsYield
In chloroform for 22h; Reflux; Inert atmosphere;84%
75618-33-6

7-chloro-3-(3,4-dichlorophenyl)-3,4-dihydro-10-hydroxy-1,9(2H,10H)-acridinedione

4461-39-6

2-[(3-aminopropyl)amino]ethanol

80092-44-0

7-Chloro-3-(3,4-dichloro-phenyl)-10-hydroxy-1-[(E)-3-(2-hydroxy-ethylamino)-propylimino]-1,3,4,10-tetrahydro-2H-acridin-9-one

Conditions
ConditionsYield
In ethanol for 1.5h; Heating;83%
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Specification

N-(2-Hydroxyethyl)-1,3-propanediamine, with the CAS NO.4461-39-6, has the synonyms of 2-(3-Aminopropylamino)ethanol; 09293_FLUKA;  2-(3-Amino-propylamino)-ethanol; HEAPA; N-(2-Hydroxyethyl)propan-1,3-diamine. The Molecular Formula is C5H14N2O and the Molecular Weight is 118.18

Physical properties about N-(2-Hydroxyethyl)-1,3-propanediamine are: (1)ACD/LogP: -1.294; (2)ACD/LogD (pH 5.5): -5.38; (3)ACD/LogD (pH 7.4): -4.56; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 3; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.472; (12)Molar Refractivity: 33.878 cm3; (13)Molar Volume: 121.069 cm3; (14)Polarizability: 13.43 10-24cm3; (15)Surface Tension: 40.173999786377 dyne/cm; (16)Density: 0.976 g/cm3; (17)Flash Point: 99.38 °C; (18)Enthalpy of Vaporization: 55.509 kJ/mol; (19)Boiling Point: 240.713 °C at 760 mmHg; (20)Vapour Pressure: 0.00600000005215406 mmHg at 25°C

When you are using this chemical, please be cautious about it as the following:
1. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice;
2. Wear suitable protective clothing, gloves and eye/face protection;
3. In case of accident or if you feel unwell, seek medical advice immediately (show label where possible);

You can still convert the following datas into molecular structure:
(1)InChI=1S/C5H14N2O/c6-2-1-3-7-4-5-8/h7-8H,1-6H2;
(2)InChIKey=GHKSKVKCKMGRDU-UHFFFAOYSA-N;
(3)SmilesN(CCCN)CCO;