Boc-(R)-3-Amino-4-(2-fluorophenyl)butyric acid supplier

Name
BOC-(R)-3-AMINO-4-(2-FLUORO-PHENYL)-BUTYRIC ACID
EINECS
CAS No. 218608-98-1
Article Data1
CAS DataBase
Density 1.192 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₀FNO₄
Boiling Point 445.539 °C at 760 mmHg
Molecular Weight 297.327
Flash Point 223.254 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3R)-3-[(tert-Butoxycarbonyl)amino]-4-(2-fluorophenyl)butanoicacid;(3R)-[(tert-Butoxycarbonyl)amino]-4-(2-fluorophenyl)butanoic acid;(R)-3-[(tert-Butoxycarbonyl)amino]-4-(2-fluorophenyl)butanoic acid;
PSA 75.63000
LogP 3.12710

Boc-(R)-3-Amino-4-(2-fluorophenyl)butyric acid Specification

The Boc-(R)-3-Amino-4-(2-fluorophenyl)butyric acid, with the CAS registry number 218608-98-1, is also known as (R)-N-(tert-Butoxycarbonyl)-3-amino-4-(2-fluorophenyl)butyric acid . It belongs to the product categories of 3-Amino-4-phenylbutyric Acid Analogs; 3-Amino-4-phenylbutanoic Acid Analogs; B-Amino. This chemical's molecular formula is C₁₅H₂₀FNO₄ and molecular weight is 297.32. Its systematic name is called (3R)-3-[(tert-butoxycarbonyl)amino]-4-(2-fluorophenyl)butanoic acid.

Physical properties of Boc-(R)-3-Amino-4-(2-fluorophenyl)butyric acid: (1)ACD/LogP: 3.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.94; (4)ACD/LogD (pH 7.4): 0.16; (5)ACD/BCF (pH 5.5): 8.66; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 70.17; (8)ACD/KOC (pH 7.4): 1.17; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.514; (13)Molar Refractivity: 75.08 cm³; (14)Molar Volume: 249.3 cm³; (15)Surface Tension: 42.4 dyne/cm; (16)Density: 1.192 g/cm³; (17)Flash Point: 223.3 °C; (18)Enthalpy of Vaporization: 74.15 kJ/mol; (19)Boiling Point: 445.5 °C at 760 mmHg; (20)Vapour Pressure: 1.01E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccccc1C[C@@H](NC(=O)OC(C)(C)C)CC(=O)O
(2)InChI: InChI=1/C15H20FNO4/c1-15(2,3)21-14(20)17-11(9-13(18)19)8-10-6-4-5-7-12(10)16/h4-7,11H,8-9H2,1-3H3,(H,17,20)(H,18,19)/t11-/m1/s1
(3)InChIKey: PUMMDCKRQRQFAD-LLVKDONJBO

Product Name

BOC-(R)-3-AMINO-4-(2-FLUORO-PHENYL)-BUTYRIC ACID

Boc-(R)-3-Amino-4-(2-fluorophenyl)butyric acid Specification

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