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Name
Pyrrolidine, 3-(3-nitrophenyl)-1-(phenylmethyl)-
- EINECS
- CAS No. 145104-99-0
- Density 1.206 g/cm3
- Solubility
- Melting Point
- Formula C17H18N2O2
- Boiling Point 405.5 °C at 760 mmHg
- Molecular Weight 282.342
- Flash Point 199.1 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
Pyrrolidine, 3-(3-nitrophenyl)-1-(phenylmethyl)- Specification
The Pyrrolidine, 3-(3-nitrophenyl)-1-(phenylmethyl)- has CAS registry number 145104-99-0. This chemical's molecular formula is C17H18N2O2 and molecular weight is 282.34. What's more, its systematic name is 1-Benzyl-3-(3-nitrophenyl)pyrrolidine.
Physical properties about Pyrrolidine, 3-(3-nitrophenyl)-1-(phenylmethyl)- are: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 49.06 Å2; (7)Index of Refraction: 1.619; (8)Molar Refractivity: 82.16 cm3; (9)Molar Volume: 234.1 cm3; (10)Polarizability: 32.57×10-24 cm3; (11)Surface Tension: 52.3 dyne/cm; (12)Density: 1.206 g/cm3; (13)Flash Point: 199.1 °C; (14)Enthalpy of Vaporization: 65.71 kJ/mol; (15)Boiling Point: 405.5 °C at 760 mmHg; (16)Vapour Pressure: 8.71E-07 mmHg at 25 °C.
Preparation of Pyrrolidine, 3-(3-nitrophenyl)-1-(phenylmethyl)-: this chemical is prepared by reaction of 1-Nitro-3-vinyl-benzene with Benzyl-methoxymethyl-trimethylsilanylmethyl-amine. The reaction needs reagent CF3CO2H and solvent CH2Cl2. The yield is about 85 %.
-1-(phenylmethyl)-.jpg)
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1cccc(c1)C3CCN(Cc2ccccc2)C3
(2) InChI: InChI=1/C17H18N2O2/c20-19(21)17-8-4-7-15(11-17)16-9-10-18(13-16)12-14-5-2-1-3-6-14/h1-8,11,16H,9-10,12-13H2
(3) InChIKey: DPNFJXMDTHSRGF-UHFFFAOYAQ
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