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CAS No.: | 54530-04-0 |
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Name: | (CIS/TRANS)-2,5-DIMETHYL-1-N-(4'-METHYL)PHENYLPYRROLIDINE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C13H19N |
Molecular Weight: | 189.301 |
Synonyms: | 2,5-Dimethyl-1-p-tolyl-pyrrolidine;Phenylpyrrolidine; |
Density: | 0.945 g/cm3 |
Boiling Point: | 291.3 °C at 760 mmHg |
Flash Point: | 118.7 °C |
PSA: | 3.24000 |
LogP: | 3.43720 |
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The Pyrrolidine,2,5-dimethyl-1-(4-methylphenyl)-, with the CAS registry number 54530-04-0, is also known as Phenylpyrrolidine and 2,5-Dimethyl-1-p-tolyl-pyrrolidine. This chemical's molecular formula is C13H19N and molecular weight is 189.3. What's more, its systematic name is called 2,5-Dimethyl-1-(4-methylphenyl)pyrrolidine.
Physical properties about Pyrrolidine,2,5-dimethyl-1-(4-methylphenyl)- are: (1)ACD/LogP: 3.86; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.93; (4)ACD/LogD (pH 7.4): 3.48; (5)ACD/BCF (pH 5.5): 6; (6)ACD/BCF (pH 7.4): 209.07; (7)ACD/KOC (pH 5.5): 35.6; (8)ACD/KOC (pH 7.4): 1240.33; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.518; (14)Molar Refractivity: 60.69 cm3; (15)Molar Volume: 200.2 cm3; (16)Surface Tension: 31.6 dyne/cm; (17)Density: 0.945 g/cm3; (18)Flash Point: 118.7 °C; (19)Enthalpy of Vaporization: 53.07 kJ/mol; (20)Boiling Point: 291.3 °C at 760 mmHg; (21)Vapour Pressure: 0.00196 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1(ccc(cc1)N2C(CCC2C)C)C
(2) InChI: InChI=1/C13H19N/c1-10-4-8-13(9-5-10)14-11(2)6-7-12(14)3/h4-5,8-9,11-12H,6-7H2,1-3H3
(3) InChIKey: OHIJQLBIZQGOKQ-UHFFFAOYAC