Boc-L-2-nitrophenylalanine supplier

Name
BOC-L-2-NITROPHENYLALANINE
EINECS
CAS No. 185146-84-3
Density 1.29 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₈N₂O₆
Boiling Point 488 °C at 760 mmHg
Molecular Weight 310.307
Flash Point 248.934 °C
Transport Information
Appearance Off-white powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms N-(tert-Butoxycarbonyl)-2-nitro-L-phenylalanine;Boc-L-2-Nitrophe;Boc-L-2-Nitrophenylalanine;(S)-2-(tert-Butoxycarbonylamino)-3-(2-nitrophenyl)propanoicacid;N-(tert-butoxycarbonyl)-2-nitro-L-phenylalanine;L-phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-2-nitro-;
PSA 121.45000
LogP 3.02930

Boc-L-2-nitrophenylalanine Specification

The Boc-L-2-nitrophenylalanine, with the CAS registry number 185146-84-3, has the systematic name of N-(tert-butoxycarbonyl)-2-nitro-L-phenylalanine. It is a kind of off-white powde, and belongs to the following product categories: Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids. And the molecular formula of the chemical is C₁₄H₁₈N₂O₆.

The characteristics of Boc-L-2-nitrophenylalanine are as followings: (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)Density: 1.29 g/cm³; (19)Flash Point: 248.9 °C; (20)Enthalpy of Vaporization: 79.42 kJ/mol; (21)Boiling Point: 488 °C at 760 mmHg; (22)Vapour Pressure: 2.45E-10 mmHg at 25°C.

Addtionally, the following datas could be converted into the 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

Product Name

BOC-L-2-NITROPHENYLALANINE

Boc-L-2-nitrophenylalanine Specification

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