2-(2-AMINOETHYL)-1-METHYLPYRROLIDINE

The 1-(1-Methylpyrrol-2-yl)ethanamine, with the CAS registry number 83732-75-6, is also known as 2-(2-Aminoethyl)-1-methylpyrrole. Its EINECS registry number is 280-626-0. This chemical's molecular formula is C₇H₁₆N₂ and molecular weight is 128.22. What's more, both its IUPAC name and systematic name are the same which is called 2-(1-Methylpyrrol-2-yl)ethanamine.

Physical properties about 1-(1-Methylpyrrol-2-yl)ethanamine are: (1) ACD/LogP: 0.45; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): -2.64; (4) ACD/LogD (pH 7.4): -2.3; (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: 8.17 Å²; (13) Index of Refraction: 1.528; (14) Molar Refractivity: 37.93 cm³; (15) Molar Volume: 123.1 cm³; (16) Surface Tension: 36.9 dyne/cm; (17) Density: 1 g/cm³; (18) Flash Point: 98.9 °C; (19) Enthalpy of Vaporization: 46.88 kJ/mol; (20) Boiling Point: 232.1 °C at 760 mmHg; (21) Vapour Pressure: 0.0602 mmHg at 25 °C.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to respiratory system, skin and it can risk of serious damage to eyes. In addition, it is harmful if swallowed and it may cause damage to health. Therefore, you should wear suitable eye/face protection. And 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: NCCc1cccn1C
(2) InChI: InChI=1/C7H12N2/c1-9-6-2-3-7(9)4-5-8/h2-3,6H,4-5,8H2,1H3
(3) InChIKey: ITFDYXKCBZEBDG-UHFFFAOYAF