Boc-beta-(S)-4-methoxyphenylalanine supplier

Name
Boc-beta-(S)-4-methoxyphenylalanine
EINECS 200-258-5
CAS No. 159990-12-2
Article Data1
CAS DataBase
Density 1.167 g/cm³
Solubility
Melting Point
Formula C₁₅H₂₁NO₅
Boiling Point 463.2 °C at 760 mmHg
Molecular Weight 295.335
Flash Point 233.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (3S)-3-(4-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
PSA 84.86000
LogP 3.12660

Boc-beta-(S)-4-methoxyphenylalanine Specification

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

Product Name

Boc-beta-(S)-4-methoxyphenylalanine

Boc-beta-(S)-4-methoxyphenylalanine Specification

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