1-BENZYL-3-(ETHYLAMINO)PYRROLIDINE

The 3-Pyrrolidinamine,N-ethyl-1-(phenylmethyl)-, with the CAS registry number 115445-21-1, is also known as 1-Benzyl-3-(ethylamino)pyrrolidine. It belongs to the product categories of 3-Aminopyrrolidines; 3-Aminopyrrolidines (Racemic). This chemical's molecular formula is C₁₃H₂₀N₂ and molecular weight is 204.31. What's more, both its IUPAC name and systematic name are the same which is called 1-Benzyl-N-ethylpyrrolidin-3-amine.

Physical properties about 3-Pyrrolidinamine,N-ethyl-1-(phenylmethyl)- are: (1)ACD/LogP: 1.79; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -2.11; (4)ACD/LogD (pH 7.4): -1.03; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.555; (14)Molar Refractivity: 64.63 cm³; (15)Molar Volume: 201.2 cm³; (16)Surface Tension: 40.3 dyne/cm; (17)Density: 1.01 g/cm³; (18)Flash Point: 108.7 °C; (19)Enthalpy of Vaporization: 52.99 kJ/mol; (20)Boiling Point: 290.5 °C at 760 mmHg; (21)Vapour Pressure: 0.00206 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin eyes and respiratory system or other mucous membranes. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(ccc1)CN2CCC(NCC)C2
(2) InChI: InChI=1/C13H20N2/c1-2-14-13-8-9-15(11-13)10-12-6-4-3-5-7-12/h3-7,13-14H,2,8-11H2,1H3
(3) InChIKey: ZSIUSRJKSLXIJH-UHFFFAOYAY