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616-24-0

Basic Information
CAS No.: 616-24-0
Name: 3-Pentanamine
Article Data: 38
Cas Database
Molecular Structure:
Molecular Structure of 616-24-0 (3-Pentanamine)
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: FlammableF,CorrosiveC
Risk Codes: 11-34-22
Safety: 16-26-27-36/37/39-45
Transport Information: UN 2733
PSA: 26.02000
LogP: 1.83400
Synthetic route
96-22-0

pentan-3-one

616-24-0

3-aminopentane

Conditions
ConditionsYield
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;
1188-11-0

3-pentanone oxime

616-24-0

3-aminopentane

Conditions
ConditionsYield
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
1188-11-0

3-pentanone oxime

A

29681-36-5

di(pentan-3-yl)amine

B

616-24-0

3-aminopentane

Conditions
ConditionsYield
With hydrogen; nickel at 200℃;
584-02-1

2-pentanol

616-24-0

3-aminopentane

Conditions
ConditionsYield
With ammonia; thorium dioxide at 350 - 380℃;
Multistep reaction;
584-02-1

2-pentanol

A

29681-36-5

di(pentan-3-yl)amine

B

616-24-0

3-aminopentane

Conditions
ConditionsYield
With nickelsilicate powder; ammonia; hydrogen at 190℃;
1114-38-1

2-ethylbutanamide

616-24-0

3-aminopentane

Conditions
ConditionsYield
With alkali hypobromite
1530-17-2

diethyl ketone azine

616-24-0

3-aminopentane

Conditions
ConditionsYield
With hydrogen; nickel at 160 - 170℃;
With ethanol; aluminium amalgam at 160 - 170℃;
540-69-2

ammonium formate

64-19-7

acetic acid

96-22-0

pentan-3-one

616-24-0

3-aminopentane

540-69-2

ammonium formate

96-22-0

pentan-3-one

616-24-0

3-aminopentane

Conditions
ConditionsYield
With acetic acid
96-22-0

pentan-3-one

A

29681-36-5

di(pentan-3-yl)amine

B

616-24-0

3-aminopentane

Conditions
ConditionsYield
With ammonia; hydrogen; platinum at 25℃; under 3040 Torr;
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  • 3-Pentylamine

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  • 616-24-0

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  • 3-Aminopentane CAS NO.616-24-0

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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%.

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