2-Pyrrolidineethanamine,1-methyl-, (2S)- (422545-95-7)

The 2-[(2S)-1-Methylpyrrolidin-2-yl]ethanamine, with the cas registry number 422545-95-7, is also called (S)-2-(1-Methylpyrrolidin-2-yl)ethanamine. It belongs to the category of Aminetertiary, and the molecular formula of the chemical is C₇H₁₆N₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 0.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.97; (4)ACD/LogD (pH 7.4): -3.84; (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: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 6.48 Å²; (13)Index of Refraction: 1.473; (14)Molar Refractivity: 39.58 cm³; (15)Molar Volume: 141 cm³; (16)Polarizability: 15.69×10^-24cm³; (17)Surface Tension: 31.7 dyne/cm; (18)Density: 0.909 g/cm³; (19)Flash Point: 65 °C; (20)Enthalpy of Vaporization: 38.95 kJ/mol; (21)Boiling Point: 152.7 °C at 760 mmHg; (22)Vapour Pressure: 3.45 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: NCC[C@H]1N(C)CCC1
(2)InChI: InChI=1/C7H16N2/c1-9-6-2-3-7(9)4-5-8/h7H,2-6,8H2,1H3/t7-/m0/s1
(3)InChIKey: PNHGJPJOMCXSKN-ZETCQYMHBV