Boc-4-nitro-D-phenylalanine supplier

Name
BOC-D-4-Nitrophe
EINECS
CAS No. 61280-75-9
Article Data4
CAS DataBase
Density 1.29 g/cm³
Solubility
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
Appearance whaite crystalline powder
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms N-(tert-Butoxycarbonyl)-4-nitro-D-phenylalanine;N-(tert-Butyloxycarbonyl)-p-nitro-D-phenylalanine;N-Boc-p-nitro-D-phenylalanine;Boc-D-Phe(4-NO2)-OH;
PSA 121.45000
LogP 3.02930

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
(3)InChIKey: XBQADBXCNQPHHY-NSHDSACABW
(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
(5)Std. InChIKey: XBQADBXCNQPHHY-NSHDSACASA-N

Product Name

BOC-D-4-Nitrophe

Boc-4-nitro-D-phenylalanine Specification

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