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Name |
Boc-D-4-tert-Butylphenylalanine |
EINECS | N/A |
CAS No. | 250611-12-2 | Density | 1.088 g/cm3 |
PSA | 75.63000 | LogP | 3.89540 |
Solubility | N/A | Melting Point |
N/A |
Formula | C18H27NO4 | Boiling Point | 461.413 °C at 760 mmHg |
Molecular Weight | 321.417 | Flash Point | 232.855 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | Xi | |
Synonyms |
N-(tert-butoxycarbonyl)-4-tert-butyl-D-phenylalanine;(2R)-2-[(tert-butoxycarbonyl)amino]-3-(4-tert-butylphenyl)propanoic acid;4-tert-Butyl-L-phenylalanine, N-BOC protected;Boc-4-tert-butyl-D-phenylalanine;Boc-4-tert-butyl-D-Phe-OH;Boc-D-4-tert-butyl-Phe; |
Article Data | 3 |
The Boc-D-4-tert-Butylphenylalanine, with the CAS registry number 250611-12-2, has the systematic name of N-(tert-butoxycarbonyl)-4-tert-butyl-D-phenylalanine. It belongs to the following product categories: Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids. And the molecular formula of the chemical is C18H27NO4.
The characteristics of Boc-D-4-tert-Butylphenylalanine are as followings: (1)ACD/LogP: 4.65; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.62; (4)ACD/LogD (pH 7.4): 1.12; (5)ACD/BCF (pH 5.5): 18.79; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 75.19; (8)ACD/KOC (pH 7.4): 2.37; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.513; (14)Molar Refractivity: 88.84 cm3; (15)Molar Volume: 295.3 cm3; (16)Polarizability: 35.22×10-24cm3; (17)Surface Tension: 38.9 dyne/cm; (18)Density: 1.088 g/cm3; (19)Flash Point: 232.9 °C; (20)Enthalpy of Vaporization: 76.1 kJ/mol; (21)Boiling Point: 461.4 °C at 760 mmHg; (22)Vapour Pressure: 2.61E-09 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@@H](C(=O)O)Cc1ccc(cc1)C(C)(C)C
(2)InChI: InChI=1/C18H27NO4/c1-17(2,3)13-9-7-12(8-10-13)11-14(15(20)21)19-16(22)23-18(4,5)6/h7-10,14H,11H2,1-6H3,(H,19,22)(H,20,21)/t14-/m1/s1
(3)InChIKey: NGWQIBYYDHXJJR-CQSZACIVBQ