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Cas Database |
| Name |
6-Amino-1-hexanol |
EINECS | 223-748-1 |
| CAS No. | 4048-33-3 | Density | 0.91 g/cm3 |
| PSA | 46.25000 | LogP | 1.19810 |
| Solubility | MISCIBLE | Melting Point |
54-58 °C(lit.) |
| Formula | C6H15NO | Boiling Point | 227 °C at 760 mmHg |
| Molecular Weight | 117.191 | Flash Point | 73.5 °C |
| Transport Information | N/A | Appearance | slightly yellow crystalline powder |
| Safety | 26-37/39-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
1-Amino-6-hexanol;1-Amino-6-hydroxyhexane;6-Aminohexanol;6-Aminohexylalcohol;6-Hexanolamine;6-Hydroxy-1-hexanamine;6-Hydroxy-1-hexylamine;6-Hydroxyhexylamine;NSC 91538; |
Article Data | 39 |
6-Amino-1-hexanol Synthetic route
| Conditions | Yield |
|---|---|
| Stage #1: 6-aminohexanoic acid With sodium tetrahydroborate at 40℃; for 0.333333h; Sonication; Stage #2: In ethylene glycol at 90℃; for 16.5h; Reflux; Stage #3: With water In ethylene glycol Temperature; | 96% |
| With sodium tetrahydroborate; iodine In tetrahydrofuran |
- 17996-12-2
N-benzyloxycarbonyl-6-amino-1-hexanol
- 4048-33-3
6-amino-1-hexanol
| Conditions | Yield |
|---|---|
| With lithium borohydride; chloro-trimethyl-silane In tetrahydrofuran for 24h; Ambient temperature; | 95% |
| With hydrogen bromide for 4h; | 79% |
| Conditions | Yield |
|---|---|
| Stage #1: caprolactam With sodium hydroxide In toluene at 80℃; Stage #2: In toluene at 100℃; for 16h; Stage #3: With ammonium chloride for 0.25h; Temperature; | 87.2% |
| With [RuCl2(Ph2PCH2CH2NH2)2]; potassium tert-butylate; hydrogen; zinc(II) trifluoroacetate In 1,4-dioxane at 100℃; under 22502.3 Torr; for 18h; Inert atmosphere; Autoclave; | 77% |
| With ethanol; sodium |
- 163361-15-7
N-CO2CH3-6-amino-1-hexanol
- 4048-33-3
6-amino-1-hexanol
| Conditions | Yield |
|---|---|
| With hydrogenchloride In water for 3h; Reflux; | 85% |
| Conditions | Yield |
|---|---|
| With carbonylchloro[4,5-bis(diisopropylphosphinomethyl)acridine]hydridoruthenium(II) In 1,4-dioxane; water at 100℃; for 40h; Schlenk technique; Inert atmosphere; | A 70% B 10% |
- 75937-12-1
6-(Boc-amino)-1-hexanol
- 4048-33-3
6-amino-1-hexanol
| Conditions | Yield |
|---|---|
| With trifluoroacetic acid at 20℃; for 12h; | 65% |
- 146292-90-2
6-azidohexan-1-ol
- 4048-33-3
6-amino-1-hexanol
| Conditions | Yield |
|---|---|
| With aluminum oxide; potassium hydroxide; hydrazine In neat (no solvent) for 1h; Milling; | 60% |
- 629-11-8
1,6-hexanediol
A
- 111-49-9
hexamethylene imine
B
- 124-09-4
1,6-Hexanediamine
C
- 4048-33-3
6-amino-1-hexanol
| Conditions | Yield |
|---|---|
| With ammonia; hydrogen In water at 180℃; under 7500.75 - 27752.8 Torr; for 4h; Reagent/catalyst; Solvent; Pressure; Time; | A 19.5% B 23.4% C 17% |
| With ammonia; chlorocarbonylhydrido[4,5-bis(dicyclohexylphosphinomethyl)acridine]ruthenium(II) In toluene at 155℃; under 25502.6 Torr; for 12h; Autoclave; Inert atmosphere; | |
| With ammonia; hydrogen In tert-butyl alcohol at 220℃; under 120012 Torr; for 6h; Kinetics; Reagent/catalyst; | A 66.5 %Chromat. B 21.2 %Chromat. C 6.5 %Chromat. |
| With ammonia; hydrogen In tert-butyl alcohol at 220℃; under 120012 Torr; for 6h; Kinetics; Reagent/catalyst; | A 7.5 %Chromat. B 17.6 %Chromat. C 68.8 %Chromat. |
| With ammonia; hydrogen In tert-butyl alcohol at 220℃; under 120012 Torr; for 6h; Kinetics; | A 23 %Chromat. B 31.3 %Chromat. C 19.1 %Chromat. |
| Conditions | Yield |
|---|---|
| With water; cobalt at 210℃; | |
| With water at 280℃; |
| Conditions | Yield |
|---|---|
| With lithium aluminium tetrahydride; diethyl ether |
6-Amino-1-hexanol Specification
The 6-Aminohexanol is an organic compound with the formula C6H15NO. The IUPAC name of this chemical is 6-aminohexan-1-ol. With the CAS registry number 90050-13-8, it is also named as 1-Hexanol, 6-amino-. The product's categories are omega-Aminoalkanols; omega-Functional Alkanols, Carboxylic Acids, Amines & Halides; Amino Alcohols; Organic Building Blocks; Oxygen Compounds. Besides, it is a slightly yellow crystalline powder, which should be stored in a dark and dry place at temperature of 0 - 5 °C.
Physical properties about 6-Aminohexanol are: (1)ACD/LogP: -0.01; (2)ACD/LogD (pH 5.5): -3.11; (3)ACD/LogD (pH 7.4): -2.86; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 12.47 Å2; (12)Index of Refraction: 1.454; (13)Molar Refractivity: 34.91 cm3; (14)Molar Volume: 128.7 cm3; (15)Polarizability: 13.84×10-24cm3; (16)Surface Tension: 36.5 dyne/cm; (17)Density: 0.91 g/cm3; (18)Flash Point: 73.5 °C; (19)Enthalpy of Vaporization: 53.9 kJ/mol; (20)Boiling Point: 227 °C at 760 mmHg; (21)Vapour Pressure: 0.0156 mmHg at 25°C.
Preparation: this chemical can be prepared by N-Benzyloxycarbonyl-6-amino-1-hexanol. This reaction will need reagent LiBH4/Me3SiCl and solvent tetrahydrofuran. The reaction time is 24 hours at ambient temperature. The yield is about 95%.
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Uses of 6-Aminohexanol: it can be used to produce bis(6-aminohexyl) phosphonate hydrochloride. It will need reagent diphenyl phosphonate, HCl gas and solvent acetonitrile. The yield is about 32%.
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When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: OCCCCCCN
(2)InChI: InChI=1/C6H15NO/c7-5-3-1-2-4-6-8/h8H,1-7H2
(3)InChIKey: SUTWPJHCRAITLU-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C6H15NO/c7-5-3-1-2-4-6-8/h8H,1-7H2
(5)Std. InChIKey: SUTWPJHCRAITLU-UHFFFAOYSA-N
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