Boc-L-3-Nitrophenylalanine supplier

Name
BOC-L-3-NITROPHENYLALANINE
EINECS
CAS No. 131980-29-5
Article Data3
CAS DataBase
Density 1.29 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₈N₂O₆
Boiling Point 506.9 °C at 760 mmHg
Molecular Weight 310.307
Flash Point 260.3 °C
Transport Information
Appearance
Safety 24/25
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms N-(tert-butoxycarbonyl)-3-nitro-L-phenylalanine;(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-nitrophenyl)propanoic acid;Boc-3-Nitro-L-Phenylalanine;L-Phenylalanine, N-[(1,1-dimethylethoxy)carbonyl]-3-nitro-;N-(tert-Butoxycarbonyl)-3-nitro-L-phenylalanine;
PSA 121.45000
LogP 3.02930

Boc-L-3-Nitrophenylalanine Specification

The Boc-L-3-Nitrophenylalanine, with the CAS registry number 131980-29-5, has the IUPAC name of (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(3-nitrophenyl)propanoic acid. It belogns 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 physical properties of Boc-L-3-Nitrophenylalanine are as followings: (1)ACD/LogP: 2.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.49; (4)ACD/LogD (pH 7.4): -0.9; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 4.3; (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: 260.3 °C; (20)Enthalpy of Vaporization: 81.8 kJ/mol; (21)Boiling Point: 506.9 °C at 760 mmHg; (22)Vapour Pressure: 4.27E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc(c1)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)8-9-5-4-6-10(7-9)16(20)21/h4-7,11H,8H2,1-3H3,(H,15,19)(H,17,18)/t11-/m0/s1
(3)InChIKey: OWTGPXDXLMNQKK-NSHDSACABM

Product Name

BOC-L-3-NITROPHENYLALANINE

Boc-L-3-Nitrophenylalanine Specification

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