2-(Aminomethyl)-1-ethylpyrrolidine

The 2-Pyrrolidinemethanamine,1-ethyl-, with the CAS registry number 26116-12-1, is also known as 1-Ethylpyrrolidin-2-ylmethylamine. It belongs to the product categories of API intermediates; Building Blocks; Heterocyclic Building Blocks; Pyrrolidines. Its EINECS number is 247-466-3. This chemical's molecular formula is C₇H₁₆N₂ and molecular weight is 128.22. What's more, its systematic name is 1-(1-Ethyl-2-pyrrolidinyl)methanamine. This chemical is used to as pharmaceutical intermediates.

Physical properties of 2-Pyrrolidinemethanamine,1-ethyl- are: (1)ACD/LogP: 0.433; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.66; (4)ACD/LogD (pH 7.4): -3.07; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 29.26 Å²; (13)Index of Refraction: 1.469; (14)Molar Refractivity: 39.569 cm³; (15)Molar Volume: 142.093 cm³; (16)Polarizability: 15.686×10^-24cm³; (17)Surface Tension: 30.82 dyne/cm; (18)Density: 0.902 g/cm³; (19)Flash Point: 60.556 °C; (20)Enthalpy of Vaporization: 39.847 kJ/mol; (21)Boiling Point: 161.901 °C at 760 mmHg; (22)Vapour Pressure: 2.22 mmHg at 25°C.

Preparation: this chemical can be prepared by 1-ethyl-2-nitromethyl-pyrrolidine at the temperature of 85 °C. This reaction will need reagent hydrogen and solvent methanol with the reaction time of 5 hours. This reaction will also need catalyst Raney nickel. The yield is about 76%.

Uses of 2-Pyrrolidinemethanamine,1-ethyl-: it can be used to produce 2-(1-ethyl-pyrrolidin-2-ylmethyl)-isoindole-1,3-dione by heating. It will need reagent pyridinium p-toluenesulfonate and solvent dimethylformamide. The yield is about 76%.

When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need to wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)SMILES: NCC1N(CC)CCC1
(2)Std. InChI: InChI=1S/C7H16N2/c1-2-9-5-3-4-7(9)6-8/h7H,2-6,8H2,1H3
(3)Std. InChIKey: UNRBEYYLYRXYCG-UHFFFAOYSA-N