CAS No.38042-74-9,1-BENZYL-3-BROMOPYRROLIDINE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	38042-74-9
Name:	1-BENZYL-3-BROMOPYRROLIDINE
Article Data:	2

Formula:	C₁₁H₁₄BrN
Molecular Weight:	240.14
Synonyms:	3-Bromo-1-benzylpyrrolidine;
Density:	1.393 g/cm³
Boiling Point:	281.796 °C at 760 mmHg
Flash Point:	124.226 °C
PSA:	3.24000
LogP:	2.59370

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Specification

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%.

Pyrrolidine, 3-bromo-1-(phenylmethyl)- can be prepared by N-benzylidene-3,4-dibromobutylamine

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