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CAS No.: | 14002-33-6 |
---|---|
Name: | 3-(3-HYDROXY-PROPYLAMINO)-PROPAN-1-OL |
Article Data: | 18 |
Molecular Structure: | |
Formula: | C6H15NO2 |
Molecular Weight: | 133.191 |
Synonyms: | 1-Propanol,3,3'-iminodi- (6CI,7CI);3,3'-Iminodi-1-propanol;Bis(3-hydroxypropyl)amine; |
Density: | 1.014 g/cm3 |
Boiling Point: | 268.858 °C at 760 mmHg |
Flash Point: | 129.676 °C |
PSA: | 52.49000 |
LogP: | -0.26830 |
3,3‘-(benzylazanediyl)bis(propan-1-ol)
bis-(3-hydroxypropyl)amine
Conditions | Yield |
---|---|
With hydrogen; palladium on activated charcoal In methanol under 2280 Torr; for 2h; | 92% |
With hydrogen; palladium dihydroxide | |
With palladium on activated charcoal; hydrogen In methanol at 20℃; under 775.743 Torr; for 6h; |
bis-(3-hydroxypropyl)amine
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In 1,4-dioxane for 24h; Heating; | 88% |
propan-1-ol-3-amine
1-chloro-3-hydroxypropane
A
bis-(3-hydroxypropyl)amine
B
tripropanolamine
Conditions | Yield |
---|---|
With sodium carbonate In ethanol for 24h; Heating; | A 8.23 g B 85% |
Conditions | Yield |
---|---|
Stage #1: propan-1-ol-3-amine; 1-chloro-3-hydroxypropane With water for 24h; Heating / reflux; Stage #2: With potassium hydroxide In water | 80% |
In water for 24h; Heating; | 64% |
In water for 24h; Reflux; | 53% |
Stage #1: propan-1-ol-3-amine; 1-chloro-3-hydroxypropane In water for 24h; Reflux; Stage #2: With potassium hydroxide In water | |
In water for 24h; Reflux; | 12.5 g |
3,3'-imino-di-propionic acid diethyl ester
bis-(3-hydroxypropyl)amine
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In diethyl ether at 25℃; for 5h; | 60% |
methylimine-N,N-dipropionate methyl ester
bis-(3-hydroxypropyl)amine
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In diethyl ether 1.) room temperature, 1 h, 2.) reflux, 24 h; | 37% |
Conditions | Yield |
---|---|
With alkali Kochen des Reaktionsprodukts mit Natrium und Isoamylalkohol; |
methyl N-(3-hydroxypropyl)-β-alaninate
bis-(3-hydroxypropyl)amine
Conditions | Yield |
---|---|
With lithium aluminium tetrahydride In tetrahydrofuran rt 30 min, reflux 2 h; Yield given; |
toluene-4-sulfonamide
1,3-dibromo-propane
A
bis-(3-hydroxypropyl)amine
B
propan-1-ol-3-amine
Conditions | Yield |
---|---|
und Kochen der nicht naeher beschriebene p-Toluolsulfonylderivate mit Natrium und Isoamylalkohol; Produkt 5: 3-Hydroxy-propylamin; |
3-Hydroxypropionitrile
A
bis-(3-hydroxypropyl)amine
B
tripropanolamine
C
propan-1-ol-3-amine
Conditions | Yield |
---|---|
at 60 - 70℃; under 36775.4 Torr; Hydrogenation; |
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This chemical is called 1-Propanol, 3,3'-iminobis-, and its systematic name is 3,3'-iminodipropan-1-ol. With the molecular formula of C6H15NO2, its molecular weight is 133.19. The CAS registry number of this chemical is 14002-33-6.
Other characteristics of the 1-Propanol, 3,3'-iminobis- can be summarised as followings: (1)ACD/LogP: -1.25; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -4.34; (4)ACD/LogD (pH 7.4): -3.79; (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: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 21.7 Å2; (13)Index of Refraction: 1.467; (14)Molar Refractivity: 36.51 cm3; (15)Molar Volume: 131.4 cm3; (16)Polarizability: 14.47×10-24cm3; (17)Surface Tension: 40.8 dyne/cm; (18)Density: 1.013 g/cm3; (19)Flash Point: 129.7 °C; (20)Enthalpy of Vaporization: 58.86 kJ/mol; (21)Boiling Point: 268.9 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OCCCNCCCO
2.InChI: InChI=1/C6H15NO2/c8-5-1-3-7-4-2-6-9/h7-9H,1-6H2
3.InChIKey: CXMYWOCYTPKBPP-UHFFFAOYAP