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CAS No. 61280-75-9 Density 1.29 g/cm3
PSA 121.45000 LogP 3.02930
Solubility N/A Melting Point 120 °C
Formula C14H18N2O6 Boiling Point 509.3 °C at 760 mmHg
Molecular Weight 310.307 Flash Point 261.8 °C
Transport Information N/A Appearance whaite crystalline powder
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 61280-75-9 (BOC-D-4-Nitrophe) Hazard Symbols IrritantXi


Article Data 4

Boc-4-nitro-D-phenylalanine Specification

The D-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-4-nitro-, with CAS registry number 61280-75-9, belongs to the following product categories: (1)Amino Acids; (2)Phenylalanine analogs and other aromatic alpha amino acids; (3)Unusual Amino Acids; (4)Boc-Amino acid series. It has the systematic name of N-(tert-butoxycarbonyl)-4-nitro-L-phenylalanine. This chemical should be stored at the temperature of 2-8°C.

Physical properties of D-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-4-nitro-: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.47; (4)ACD/LogD (pH 7.4): -0.91; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.12; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 8; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 101.66 Å2; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 77 cm3; (15)Molar Volume: 240.4 cm3; (16)Polarizability: 30.52×10-24cm3; (17)Surface Tension: 51.7 dyne/cm; (18)Enthalpy of Vaporization: 82.1 kJ/mol; (19)Vapour Pressure: 3.4E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccc(cc1)C[C@H](NC(=O)OC(C)(C)C)C(=O)O
(2)InChI: InChI=1/C14H18N2O6/c1-14(2,3)22-13(19)15-11(12(17)18)8-9-4-6-10(7-5-9)16(20)21/h4-7,11H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1
(4)Std. InChI: InChI=1S/C14H18N2O6/c1-14(2,3)22-13(19)15-11(12(17)18)8-9-4-6-10(7-5-9)16(20)21/h4-7,11H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1

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