Basic Information | Post buying leads | Suppliers |
Name |
1H-Indole,2-(2-pyrrolidinyl)- |
EINECS | N/A |
CAS No. | 112565-42-1 | Density | 1.154 g/cm3 |
PSA | 27.82000 | LogP | 2.92120 |
Solubility | N/A | Melting Point |
102-103 °C(Solv: 1,1,1-trichloroethane (71-55-6)) |
Formula | C12H14N2 | Boiling Point | 373.2 °C at 760 mmHg |
Molecular Weight | 186.257 | Flash Point | 179.5 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-(Pyrrolidin-2-yl)-1H-indole; |
The 1H-Indole,2-(2-pyrrolidinyl)-, with its CAS registry number 112565-42-1, has the systematic name of 2-pyrrolidin-2-yl-1H-indole. And it has the molecular formula of C12H14N2 and molecular weight of 186.25.
The characteristics of 1H-Indole,2-(2-pyrrolidinyl)- are as follows: (1)ACD/LogP: 1.70; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 8.17 Å2; (7)Index of Refraction: 1.645; (8)Molar Refractivity: 58.51 cm3; (9)Molar Volume: 161.3 cm3; (10)Polarizability: 23.19×10-24cm3; (11)Surface Tension: 50.3 dyne/cm; (12)Density: 1.154 g/cm3; (13)Flash Point: 179.5 °C; (14)Enthalpy of Vaporization: 62.05 kJ/mol; (15)Boiling Point: 373.2 °C at 760 mmHg; (16)Vapour Pressure: 9.1E-06 mmHg at 25°C.
Production method of this chemical: 4,5-Dihydro-2-indol-2-yl-3H-pyrrole could react to produce 1H-Indole,2-(2-pyrrolidinyl)-, and this happens in the reagent of sodium borohydride and the solvent of ethanol for 72 hours.
What's more, the following datas could be converted into the molecular structure:
(1)SMILES:c31c(nc(c1)C2NCCC2)cccc3
(2)InChI:InChI=1/C12H14N2/c1-2-5-10-9(4-1)8-12(14-10)11-6-3-7-13-11/h1-2,4-5,8,11,13-14H,3,6-7H2
(3)InChIKey:OMBLRQAOBHNNED-UHFFFAOYAJ