Boc-D-4-tert-Butylphenylalanine supplier

Name
BOC-D-4-TERT-BUTYL-PHE
EINECS
CAS No. 250611-12-2
Article Data3
CAS DataBase
Density 1.088 g/cm³
Solubility
Melting Point
Formula C₁₈H₂₇NO₄
Boiling Point 461.413 °C at 760 mmHg
Molecular Weight 321.417
Flash Point 232.855 °C
Transport Information
Appearance
Safety
Risk Codes
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;
PSA 75.63000
LogP 3.89540

Boc-D-4-tert-Butylphenylalanine Specification

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

Product Name

BOC-D-4-TERT-BUTYL-PHE

Boc-D-4-tert-Butylphenylalanine Specification

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