Name: (R)-N-BOC-3-BROMO-BETA-PHENYLALANINE
SKU: 501015-16-3

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Basic Information

Molecular Structure:
CAS No.:	501015-16-3
Name:	(R)-N-BOC-3-BROMO-BETA-PHENYLALANINE

Formula:	C₁₄H₁₈BrNO₄
Molecular Weight:	344.20
Synonyms:	Boc-(R)-3-Amino-3-(3-bromo-phenyl)-propionic acid;(3R)-3-(3-Bromophenyl)-3-[(tert-butoxycarbonyl)amino]propanoic acid;
Density:	1.403 g/cm³
Melting Point:	77-79℃
Boiling Point:	471.1 °C at 760 mmHg
Flash Point:	238.7 °C
PSA:	75.63000
LogP:	3.88050

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Specification

The Benzenepropanoic acid, 3-bromo-b-[[(1,1-dimethylethoxy)carbonyl]amino]-,(bR)- with CAS registry number of 501015-16-3 is also called Boc-(R)-3-Amino-3-(3-bromo-phenyl)-propionic acid. In addition, the molecular formula is C₁₄H₁₈BrNO₄ and the molecular weight is 344.20. The systematic name is (3R)-3-(3-bromophenyl)-3-[(tert-butoxycarbonyl)amino]propanoic acid. It should be stored in a cool and dry place.

Physical properties about Benzenepropanoic acid, 3-bromo-b-[[(1,1-dimethylethoxy)carbonyl]amino]-,(bR)- are: (1)ACD/LogP: 3.49; (2)ACD/LogD (pH 5.5): 2.08; (3)ACD/LogD (pH 7.4): 0.32; (4)ACD/BCF (pH 5.5): 10.29; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 73.46; (7)ACD/KOC (pH 7.4): 1.29; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 55.84 Å²; (12)Index of Refraction: 1.55; (13)Molar Refractivity: 78.19 cm³; (14)Molar Volume: 245.1 cm³; (15)Polarizability: 30.99 ×10^-24cm³; (16)Surface Tension: 46.7 dyne/cm; (17)Density: 1.403 g/cm³; (18)Flash Point: 238.7 °C; (19)Enthalpy of Vaporization: 77.3 kJ/mol; (20)Boiling Point: 471.1 °C at 760 mmHg; (21)Vapour Pressure: 1.12E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc1cc(ccc1)[C@H](NC(=O)OC(C)(C)C)CC(=O)O(2)InChI: InChI=1/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(8-12(17)18)9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m1/s1
(3)InChIKey: UTYRIGRZLZNTLR-LLVKDONJBQ