Name: 2-(4-METHYLPHENYL)PYRROLIDINE
SKU: 62506-76-7

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Basic Information

Molecular Structure:
CAS No.:	62506-76-7
Name:	2-(4-METHYLPHENYL)PYRROLIDINE
Article Data:	2

Formula:	C₁₁H₁₅N
Molecular Weight:	161.247
Synonyms:	Pyrrolidine, 2-p-tolyl- (3CI);2-(4-Methylphenyl)pyrrolidine;
Density:	0.975 g/cm³
Boiling Point:	259.6 °C at 760 mmHg
Flash Point:	112.7 °C
Hazard Symbols:	Xi
PSA:	12.03000
LogP:	2.74830

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Specification

The Pyrrolidine, 2-(4-methylphenyl)-, with the CAS registry number of 62506-76-7, is also known as AKOS BB-8861. This chemical's molecular formula is C₁₁H₁₅N and molecular weight is 161.24. What's more, its systematic name is called 2-(4-Methylphenyl)pyrrolidine.

Physical properties about Pyrrolidine, 2-(4-methylphenyl)- are: (1)ACD/LogP: 2.24; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.86; (4)ACD/LogD (pH 7.4): -0.61; (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: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å²; (13)Index of Refraction: 1.53; (14)Molar Refractivity: 51.06 cm³; (15)Molar Volume: 165.2 cm³; (16)Polarizability: 20.24×10^-24 cm³; (17)Surface Tension: 35.7 dyne/cm; (18)Density: 0.975 g/cm³; (19)Flash Point: 112.7 °C; (20)Enthalpy of Vaporization: 49.72 kJ/mol; (21)Boiling Point: 259.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0129 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1(ccc(cc1)C2NCCC2)C
(2) InChI: InChI=1/C11H15N/c1-9-4-6-10(7-5-9)11-3-2-8-12-11/h4-7,11-12H,2-3,8H2,1H3
(3) InChIKey: TXFISDWSKUHPET-UHFFFAOYAM