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