1H-Indole,2-(2-pyrrolidinyl)- supplier

Name
2-PYRROLIDIN-2-YL-1H-INDOLE
EINECS
CAS No. 112565-42-1
Density 1.154 g/cm³
Solubility
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
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Pyrrolidin-2-yl)-1H-indole;
PSA 27.82000
LogP 2.92120

1H-Indole,2-(2-pyrrolidinyl)- Specification

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

Product Name

2-PYRROLIDIN-2-YL-1H-INDOLE

1H-Indole,2-(2-pyrrolidinyl)- Specification

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