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706806-75-9

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Basic Information
CAS No.: 706806-75-9
Name: BOC-(R)-ALPHA-(4-BROMOBENZYL)-PROLINE
Article Data: 1
Molecular Structure:
Molecular Structure of 706806-75-9 (BOC-(R)-ALPHA-(4-BROMOBENZYL)-PROLINE)
Formula: C17H22BrNO4
Molecular Weight: 384.27
Synonyms: BOC-(R)-ALPHA-(4-BROMOBENZYL)-PROLINE;Boc-(R)-a-(4-bromo-benzyl)-proline
Density: 1.412 g/cm3
Boiling Point: 488.6 °C at 760 mmHg
Flash Point: 249.3 °C
PSA: 66.84000
LogP: 3.78380
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    High quality,stable supply chain.Appearance:white/off-white or light yellow Storage:Store in cool and dry place, keep away from strong light and heat. Package:aluminum bottle,glass bottle,PTFE bottle,cardboard drum Application:This product can be use

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  • N-(t-Butoxycarbonyl)-2-(4-bromobenzyl)-L-proline

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  • BOC-(R)-ALPHA-(4-BROMOBENZYL)-PROLINE

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    BOC-(R)-ALPHA-(4-BROMOBENZYL)-PROLINE

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Specification

This chemical is called Boc-(R)-α-(4-bromobenzyl)-proline, and its systematic name is 2-(4-bromobenzyl)-1-(tert-butoxycarbonyl)-L-proline. With the molecular formula of C17H22BrNO4, its molecular weight is 384.26. The CAS registry number of this chemical is 706806-75-9. Additionally, its product category is Alpha-Substituted Proline Analogs. 

Other characteristics of the Boc-(R)-α-(4-bromobenzyl)-proline can be summarised as followings: (1)ACD/LogP: 3.57; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 0.25; (5)ACD/BCF (pH 5.5): 7.17; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 49.2; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 89.69 cm3; (15)Molar Volume: 272.1 cm3; (16)Polarizability: 35.55×10-24cm3; (17)Surface Tension: 52.5 dyne/cm; (18)Density: 1.412 g/cm3; (19)Flash Point: 249.3 °C; (20)Enthalpy of Vaporization: 79.49 kJ/mol; (21)Boiling Point: 488.6 °C at 760 mmHg; (22)Vapour Pressure: 2.33E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Brc1ccc(cc1)C[C@]2(C(=O)O)N(C(=O)OC(C)(C)C)CCC2
2.InChI: InChI=1/C17H22BrNO4/c1-16(2,3)23-15(22)19-10-4-9-17(19,14(20)21)11-12-5-7-13(18)8-6-12/h5-8H,4,9-11H2,1-3H3,(H,20,21)/t17-/m1/s1
3.InChIKey: VQWRXYZZPMLJRL-QGZVFWFLBT