Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
1-Benzyl-3-bromo-pyrrolidine |
EINECS | N/A |
CAS No. | 38042-74-9 | Density | 1.393 g/cm3 |
PSA | 3.24000 | LogP | 2.59370 |
Solubility | N/A | Melting Point |
N/A |
Formula | C11H14BrN | Boiling Point | 281.796 °C at 760 mmHg |
Molecular Weight | 240.14 | Flash Point | 124.226 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Bromo-1-benzylpyrrolidine; |
Article Data | 2 |
The Pyrrolidine, 3-bromo-1-(phenylmethyl)- has the CAS registry number 38042-74-9. This chemical's molecular formula is C11H14BrN and molecular weight is 240.14. What's more, its systematic name is 1-benzyl-3-bromopyrrolidine.
Physical properties of Pyrrolidine, 3-bromo-1-(phenylmethyl)- are: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 13; (7)ACD/KOC (pH 5.5): 3; (8)ACD/KOC (pH 7.4): 158; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 3.24 Å2; (13)Index of Refraction: 1.6; (14)Molar Refractivity: 58.966 cm3; (15)Molar Volume: 172.441 cm3; (16)Polarizability: 23.376×10-24 cm3; (17)Surface Tension: 47.04 dyne/cm; (18)Density: 1.393 g/cm3; (19)Flash Point: 124.226 °C; (20)Enthalpy of Vaporization: 52.062 kJ/mol; (21)Boiling Point: 281.796 °C at 760 mmHg; (22)Vapour Pressure: 0.003 mmHg at 25°C.
Preparation: this chemical can be prepared by N-benzylidene-3,4-dibromobutylamine by heating. This reaction will need reagent NaBH4 and solvent methanol with the reaction time of 2 hours. The yield is about 78%.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: BrC2CCN(Cc1ccccc1)C2
(2)InChI: InChI=1/C11H14BrN/c12-11-6-7-13(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2
(3)InChIKey: VOXJTPBOJBQGSL-UHFFFAOYAU