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| CAS No.: | 616-24-0 |
|---|---|
| Name: | 3-Aminopentane |
| Article Data: | 38 |
| Molecular Structure: | |
|
|
|
| Formula: | C5H13N |
| Molecular Weight: | 87.1649 |
| Synonyms: | Propylamine,1-ethyl- (6CI,7CI,8CI);1-Ethylpropylamine;3-Aminopentane;3-Pentylamine;NSC165575;Propylamine, 1-ethyl- (8CI); |
| EINECS: | 210-471-6 |
| Density: | 0.757 g/cm3 |
| Melting Point: | -70°C (estimate) |
| Boiling Point: | 92.1 °C at 760 mmHg |
| Flash Point: | 2.2 °C |
| Solubility: | soluble in water |
| Appearance: | Clear colorless to faintly yellow liquid |
| Hazard Symbols: |
 F, C
|
| Risk Codes: | 11-34-22 |
| Safety: | 16-26-27-36/37/39-45 |
| Transport Information: | UN 2733 |
| PSA: | 26.02000 |
| LogP: | 1.83400 |
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| Conditions | Yield |
|---|---|
| With ammonia; hydrogen In methanol at 30℃; for 15h; Autoclave; | 97% |
| With platinum on silica; ammonia; hydrogen at 140 - 290℃; | |
| With ammonia; water; nickel at 50 - 60℃; under 5148.6 Torr; Hydrogenation; |
| Conditions | Yield |
|---|---|
| With ethanol; nickel Hydrogenation; | |
| With ethanol; sodium | |
| With ethanol; sodium | |
| With sodium bis(2-methoxyethoxy)aluminium dihydride In toluene at 140℃; for 4h; | |
| Multi-step reaction with 2 steps 1: 1) sodium; 2) hydrochloric acid / 1) methanol, reflux; 2) water, reflux 2: potassium hydroxide View Scheme |
| Conditions | Yield |
|---|---|
| With hydrogen; nickel at 200℃; |
| Conditions | Yield |
|---|---|
| With ammonia; thorium dioxide at 350 - 380℃; | |
| Multistep reaction; |
| Conditions | Yield |
|---|---|
| With nickelsilicate powder; ammonia; hydrogen at 190℃; |
| Conditions | Yield |
|---|---|
| With alkali hypobromite |
| Conditions | Yield |
|---|---|
| With hydrogen; nickel at 160 - 170℃; | |
| With ethanol; aluminium amalgam at 160 - 170℃; |
| Conditions | Yield |
|---|---|
| With acetic acid |
| Conditions | Yield |
|---|---|
| With ammonia; hydrogen; platinum at 25℃; under 3040 Torr; |
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Specification
The 3-Pentanamine, with the CAS registry number 616-24-0, is also known as 1-Ethylpropylamine. Its EINECS number is 210-471-6. This chemical's molecular formula is C5H13N and molecular weight is 87.16. What's more, its IUPAC name is pentan-3-amine. It is stable at common pressure and temperature, and it should be sealed and stored in a cool and dry place.
Physical properties of 3-Pentanamine are: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.82; (4)ACD/LogD (pH 7.4): -1.65; (5)ACD/BCF (pH 5.5): 1; (6)ACD/KOC (pH 5.5): 1; (7)#H bond acceptors: 1; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 3.24 Å2; (11)Index of Refraction: 1.413; (12)Molar Refractivity: 28.7 cm3; (13)Molar Volume: 115.1 cm3; (14)Surface Tension: 25 dyne/cm; (15)Density: 0.757 g/cm3; (16)Flash Point: 2.2 °C; (17)Enthalpy of Vaporization: 33.19 kJ/mol; (18)Boiling Point: 92.1 °C at 760 mmHg; (19)Vapour Pressure: 52.4 mmHg at 25°C.
Uses of 3-Pentanamine: it can be used to produce (1-ethyl-propyl)-(9-methyl-9H-purin-6-yl)-amine by heating. It will need reagent N,N-diisopropylethylamine and solvent ethanol. The yield is about 77%.
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When you are using this chemical, please be cautious about it as the following:
It is highly flammable, so you should keep it away from sources of ignition - No smoking. It is harmful if swallowed. It can cause burns. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice. You must take off immediately all contaminated clothing. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC(CC)N
(2)InChI: InChI=1S/C5H13N/c1-3-5(6)4-2/h5H,3-4,6H2,1-2H3
(3)InChIKey: PQPFFKCJENSZKL-UHFFFAOYSA-N