Basic Information | Post buying leads | Suppliers |
Name |
Benzenepropanoic acid, 3-bromo-b-[[(1,1-dimethylethoxy)carbonyl]amino]-,(bR)- |
EINECS | N/A |
CAS No. | 501015-16-3 | Density | 1.403 g/cm3 |
PSA | 75.63000 | LogP | 3.88050 |
Solubility | N/A | Melting Point |
77-79℃ |
Formula | C14H18BrNO4 | Boiling Point | 471.1 °C at 760 mmHg |
Molecular Weight | 344.20 | Flash Point | 238.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Boc-(R)-3-Amino-3-(3-bromo-phenyl)-propionic acid;(3R)-3-(3-Bromophenyl)-3-[(tert-butoxycarbonyl)amino]propanoic acid; |
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