Benzenamine,3-(1H-pyrrol-1-yl)- (89353-42-4)

This chemical is called 3-(1H-Pyrrol-1-yl)aniline, and it can also be named as 1-(3-Aminophenyl)pyrrole. Usually, its CAS number is 89353-42-4, and the molecular formula is C₁₀H₁₀N₂. Actually, the 3-(1H-Pyrrol-1-yl)aniline is an organic intermediate and fine chemical, so it can be used on drug research and development. 

Other characteristics can be summarized as follows: (1)ACD/LogP:  1.80; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  1.8; (4)ACD/LogD (pH 7.4):  1.8; (5)ACD/BCF (pH 5.5):  13.62; (6)ACD/BCF (pH 7.4):  13.69; (7)ACD/KOC (pH 5.5):  225.27; (8)ACD/KOC (pH 7.4):  226.5; (9)#H bond acceptors:  2; (10)#H bond donors:  2; (11)#Freely Rotating Bonds:  2; (12)Polar Surface Area:  8.17Ų; (13)Index of Refraction:  1.602; (14)Molar Refractivity:  49.4 cm³; (15)Molar Volume:  143.9 cm³; (16)Polarizability:  19.58×10^-24 cm³; (17)Surface Tension:  44.6 dyne/cm; (18)Density:  1.09 g/cm³; (19)Flash Point:  149.4 °C; (20)Enthalpy of Vaporization:  56.53 kJ/mol; (21)Boiling Point:  323.4 °C at 760 mmHg; (22)Vapour Pressure:  0.000263 mmHg at 25°C.

When you are using this chemical, you should be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin, so don't contact it with your skin and eyes, and not breath in it. In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice. If you are using this chemical, please wear suitable protective clothing, gloves and eye/face protection.  

People can use the following data to convert to the molecule structure:
(1)SMILES: c1c(cc(cc1)n2cccc2)N
(2)InChI: InChI=1/C10H10N2/c11-9-4-3-5-10(8-9)12-6-1-2-7-12/h1-8H,11H2
(3)InChIKey: PJGDCPOPSNUYHC-UHFFFAOYAA
(4)Std. InChI: InChI=1S/C10H10N2/c11-9-4-3-5-10(8-9)12-6-1-2-7-12/h1-8H,11H2
(5)Std. InChIKey: PJGDCPOPSNUYHC-UHFFFAOYSA-N