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| CAS No.: | 72216-05-8 |
|---|---|
| Name: | 2-(3-METHYLPHENYL)PYRROLIDINE |
| Article Data: | 9 |
| Molecular Structure: | |
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| Formula: | C11H15N |
| Molecular Weight: | 161.247 |
| Synonyms: | 2-(3-Methylphenyl)pyrrolidine; |
| Density: | 0.975 g/cm3 |
| Boiling Point: | 256.7 °C at 760 mmHg |
| Flash Point: | 110.5 °C |
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 12.03000 |
| LogP: | 2.74830 |
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Specification
This chemical is called Pyrrolidine,2-(3-methylphenyl)-, and its systematic name is 2-(3-methylphenyl)pyrrolidine. With the molecular formula of C11H15N, its molecular weight is 161.24. The CAS registry number of this chemical is 72216-05-8.
Other characteristics of the Pyrrolidine,2-(3-methylphenyl)- can be summarised as followings: (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): -0.66; (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: 20.24×10-24cm3; (17)Surface Tension: 35.7 dyne/cm; (18)Density: 0.975 g/cm3; (19)Flash Point: 110.5 °C; (20)Enthalpy of Vaporization: 49.42 kJ/mol; (21)Boiling Point: 256.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0152 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: c1c(cc(cc1)C2NCCC2)C
2.InChI: InChI=1/C11H15N/c1-9-4-2-5-10(8-9)11-6-3-7-12-11/h2,4-5,8,11-12H,3,6-7H2,1H3
3.InChIKey: UUTBSNFHBOVJLI-UHFFFAOYAK