Boc-D-2-nitrophenylalanine supplier

Name
BOC-D-2-NITROPHENYLALANINE
EINECS
CAS No. 478183-69-6
Article Data2
CAS DataBase
Density 1.29 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₈N₂O₆
Boiling Point 488 °C at 760 mmHg
Molecular Weight 310.307
Flash Point 248.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms N-ALPHA-T-BUTOXYCARBONYL-(2-NITRO)-D-PHENYLALANINE;BOC-O-NITRO-D-PHE-OH;BOC-2-NITRO-D-PHENYLALANINE;BOC-D-PHE(2-NO2)-OH;BOC-D-2-NITROPHE;BOC-D-2-NITROPHENYLALANINE;2-Nitro-D-phenylalanine, N-BOC protected;(R)-2-(tert-butoxycarbonylamino)-3-(2-nitrophenyl)propanoic acid
PSA 121.45000
LogP 3.02930

Boc-D-2-nitrophenylalanine Specification

The D-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-2-nitro-, with CAS registry number 478183-69-6, belongs to the following product categories: (1)Amino Acids; (2)Phenylalanine analogs and other aromatic alpha amino acids. It has the systematic name of N-(tert-butoxycarbonyl)-2-nitro-L-phenylalanine. And the chemical formula of this chemical is C₁₄H₁₈N₂O₆.

Physical properties of D-Phenylalanine,N-[(1,1-dimethylethoxy)carbonyl]-2-nitro-: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.44; (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): 3.9; (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: 79.42 kJ/mol; (19)Vapour Pressure: 2.45E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1ccccc1C[C@H](NC(=O)OC(C)(C)C)C(=O)O
(2)InChI: InChI=1/C14H18N2O6/c1-14(2,3)22-13(19)15-10(12(17)18)8-9-6-4-5-7-11(9)16(20)21/h4-7,10H,8H2,1-3H3,(H,15,19)(H,17,18)/t10-/m0/s1
(3)InChIKey: BSHMNGMAJNWNBP-JTQLQIEIBT
(4)Std. InChI: InChI=1S/C14H18N2O6/c1-14(2,3)22-13(19)15-10(12(17)18)8-9-6-4-5-7-11(9)16(20)21/h4-7,10H,8H2,1-3H3,(H,15,19)(H,17,18)/t10-/m0/s1
(5)Std. InChIKey: BSHMNGMAJNWNBP-JTQLQIEISA-N

Product Name

BOC-D-2-NITROPHENYLALANINE

Boc-D-2-nitrophenylalanine Specification

Related Products

Hot Products