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637020-91-8

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Basic Information
CAS No.: 637020-91-8
Name: (R)-ALPHA-(4-BROMOBENZYL)-PROLINE-HCL
Molecular Structure:
Molecular Structure of 637020-91-8 ((R)-ALPHA-(4-BROMOBENZYL)-PROLINE-HCL)
Formula: C12H14BrNO2
Molecular Weight: 320.61
Synonyms: (4R)-4-(4-Bromobenzyl)-D-proline;
Density: 1.483 g/cm3
Boiling Point: 431.7 °C at 760 mmHg
Flash Point: 214.9 °C
PSA: 49.33000
LogP: 3.32920
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Specification

The L-Proline,2-[(4-bromophenyl)methyl]-, with the CAS registry number of 637020-91-8, is also known as (4R)-4-(4-Bromobenzyl)-D-proline. Its molecular formula is C12H14BrNO2 and molecular weight is 284.1491. What's more, its systematic name is (2R,4R)-4-[(4-Bromophenyl)methyl]pyrrolidine-2-carboxylic acid.

Physical properties about the L-Proline,2-[(4-bromophenyl)methyl]- are: (1)ACD/LogP: 2.29; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 49.33 Å2; (7)Index of Refraction: 1.591; (8)Molar Refractivity: 64.75 cm3; (9)Molar Volume: 191.4 cm3; (10)Surface Tension: 51 dyne/cm; (11)Density: 1.483 g/cm3; (12)Flash Point: 214.9 °C; (13)Enthalpy of Vaporization: 72.45 kJ/mol; (14)Boiling Point: 431.7 °C at 760 mmHg; (15)Vapour Pressure: 3.22E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OC(=O)[C@H]2C[C@@H](Cc1ccc(Br)cc1)CN2
(2) InChI: InChI=1/C12H14BrNO2/c13-10-3-1-8(2-4-10)5-9-6-11(12(15)16)14-7-9/h1-4,9,11,14H,5-7H2,(H,15,16)/t9-,11-/m1/s1
(3) InChIKey: KBZRUYGFVGXOBD-MWLCHTKSBR