Spiro[isobenzofuran-1(3H),4'-piperidine] (38309-60-3)

The cas register number of 3H-Spiro[isobenzofuran-1,4'-piperidine] is 38309-60-3. It also can be called as 3H-Spiro[2-benzofuran-1,4'-piperidine] and the Systematic name about this chemical is spiro[1H-2-benzofuran-3,4'-piperidine].

Physical properties about 3H-Spiro[isobenzofuran-1,4'-piperidine] are: (1)ACD/LogP: 2.17 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): -0.92 ; (4)ACD/LogD (pH 7.4): -0.43 ; (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: 0; (12)Polar Surface Area: 12.47 Å²; (13)Index of Refraction: 1.591; (14)Molar Refractivity: 55.84 cm³; (15)Molar Volume: 165.1 cm³; (16)Surface Tension: 45.1 dyne/cm; (17)Density: 1.14 g/cm³; (18)Flash Point: 126.5 °C; (19)Enthalpy of Vaporization: 56.3 kJ/mol; (20)Boiling Point: 321.3 °C at 760 mmHg; (21)Vapour Pressure: 0.000301 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is irritating to eyes, respiratory system and skin. If people in case of contact with eyes, rinse immediately with plenty of water and seek medical advice. So people must wear suitable protective clothing, gloves and eye/face protection.

People can use the following data to convert to the molecule structure.
1.SMILES: O2C3(c1c(cccc1)C2)CCNCC3
2.InChI: InChI=1/C12H15NO/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12/h1-4,13H,5-9H2 
3.InChIKey: BYOIMOJOKVUNTP-UHFFFAOYAP
4.Std. InChI: InChI=1S/C12H15NO/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12/h1-4,13H,5-9H2.