Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Boc-beta-(S)-4-methoxyphenylalanine |
EINECS | 200-258-5 |
CAS No. | 159990-12-2 | Density | 1.167 g/cm3 |
PSA | 84.86000 | LogP | 3.12660 |
Solubility | N/A | Melting Point |
N/A |
Formula | C15H21NO5 | Boiling Point | 463.2 °C at 760 mmHg |
Molecular Weight | 295.335 | Flash Point | 233.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
(3S)-3-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid |
Article Data | 1 |
The Boc-beta-(S)-4-methoxyphenylalanine is an organic compound with the formula C15H21NO5. The systematic name of this chemical is (3S)-3-[(tert-butoxycarbonyl)amino]-3-(4-methoxyphenyl)propanoic acid. With the CAS registry number 159990-12-2, it is also named as (S)-3-(Boc-amino)-3-(4-methoxyphenyl)propionic acid. Besides, it should be stored in a closed, cool, dry place at room temperature.
Physical properties about Boc-beta-(S)-4-methoxyphenylalanine are: (1)ACD/LogP: 2.63; (2)#H bond acceptors: 6; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 65.07 Å2; (6)Index of Refraction: 1.522; (7)Molar Refractivity: 77.18 cm3; (8)Molar Volume: 253 cm3; (9)Polarizability: 30.59×10-24cm3; (10)Surface Tension: 42.8 dyne/cm; (11)Density: 1.167 g/cm3; (12)Flash Point: 233.9 °C; (13)Enthalpy of Vaporization: 76.32 kJ/mol; (14)Boiling Point: 463.2 °C at 760 mmHg; (15)Vapour Pressure: 2.23E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](c1ccc(OC)cc1)CC(=O)O
(2)InChI: InChI=1/C15H21NO5/c1-15(2,3)21-14(19)16-12(9-13(17)18)10-5-7-11(20-4)8-6-10/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m0/s1
(3)InChIKey: OPAAZWPTEYZZIW-LBPRGKRZBK
(4)Std. InChI: InChI=1S/C15H21NO5/c1-15(2,3)21-14(19)16-12(9-13(17)18)10-5-7-11(20-4)8-6-10/h5-8,12H,9H2,1-4H3,(H,16,19)(H,17,18)/t12-/m0/s1
(5)Std. InChIKey: OPAAZWPTEYZZIW-LBPRGKRZSA-N