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| CAS No.: | 219928-13-9 |
|---|---|
| Name: | 1-(3-BROMOPHENYL)PYRROLIDINE |
| Article Data: | 15 |
| Molecular Structure: | |
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| Formula: | C10H12BrN |
| Molecular Weight: | 226.116 |
| Synonyms: | 1-(3-Bromophenyl)pyrrolidine 97%; |
| Density: | 1.411 g/cm3 |
| Boiling Point: | 306 °C at 760 mmHg |
| Flash Point: | 138.9 °C |
| PSA: | 3.24000 |
| LogP: | 3.11430 |
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- Total:33 Page 1 of 1 1
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Specification
The Pyrrolidine,1-(3-bromophenyl)-, with the CAS registry number of 219928-13-9, is also known as 1-(3-Bromophenyl)pyrrolidine 97%. It belongs to the product categories of Amines; Blocks; Bromides. This chemical's molecular formula is C10H12BrN and molecular weight is 226.11. What's more, its systematic name is 1-(3-Bromophenyl)pyrrolidine.
Physical properties about the Pyrrolidine,1-(3-bromophenyl)- are: (1)ACD/LogP: 3.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.51; (4)ACD/LogD (pH 7.4): 3.55; (5)ACD/BCF (pH 5.5): 265.42; (6)ACD/BCF (pH 7.4): 292.07; (7)ACD/KOC (pH 5.5): 1839.45; (8)ACD/KOC (pH 7.4): 2024.17; (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: 1.591; (14)Molar Refractivity: 54.14 cm3; (15)Molar Volume: 160.1 cm3; (16)Surface Tension: 43.7 dyne/cm; (17)Density: 1.411 g/cm3; (18)Flash Point: 138.9 °C; (19)Enthalpy of Vaporization: 54.65 kJ/mol; (20)Boiling Point: 306 °C at 760 mmHg; (21)Vapour Pressure: 0.000794 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cccc(c1)N2CCCC2
(2) InChI: InChI=1/C10H12BrN/c11-9-4-3-5-10(8-9)12-6-1-2-7-12/h3-5,8H,1-2,6-7H2
(3) InChIKey: SKCNYQBWULWGAP-UHFFFAOYAV