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383127-44-4

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Basic Information
CAS No.: 383127-44-4
Name: 2-(3,5-DIMETHYLPHENYL)PYRROLIDINE
Article Data: 2
Molecular Structure:
Molecular Structure of 383127-44-4 (2-(3,5-DIMETHYLPHENYL)PYRROLIDINE)
Formula: C12H17N
Molecular Weight: 175.274
Synonyms: 2-(3,5-Dimethylphenyl)pyrrolidine;
Density: 0.965 g/cm3
Boiling Point: 274.6 °C at 760 mmHg
Flash Point: 121.5 °C
PSA: 12.03000
LogP: 3.05670
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    Molecular Formula C12H17N Molecular Weight 175.27 CAS Registry Number 383127-44-4 Name2-(3,5-Dimethylphenyl)pyrrolidineMol…

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Specification

The Pyrrolidine, 2-(3, 5-dimethylphenyl)- has CAS registry number 383127-44-4. This chemical's molecular formula is C12H17N and molecular weight is 175.27. What's more, its systematic name is 2-(3, 5-Dimethylphenyl)pyrrolidine.

Physical properties about Pyrrolidine, 2-(3, 5-dimethylphenyl)- are: (1)ACD/LogP: 2.70; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.4; (4)ACD/LogD (pH 7.4): -0.21; (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: 1.528; (14)Molar Refractivity: 55.88 cm3; (15)Molar Volume: 181.4 cm3; (16)Polarizability: 22.15×10-24 cm3; (17)Surface Tension: 35 dyne/cm; (18)Density: 0.965 g/cm3; (19)Flash Point: 121.5 °C; (20)Enthalpy of Vaporization: 51.3 kJ/mol; (21)Boiling Point: 274.6 °C at 760 mmHg; (22)Vapour Pressure: 0.00536 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(cc(cc1C)C2NCCC2)C
(2) InChI: InChI=1/C12H17N/c1-9-6-10(2)8-11(7-9)12-4-3-5-13-12/h6-8,12-13H,3-5H2,1-2H3
(3) InChIKey: SHGUHZCFMGGKFO-UHFFFAOYAK