Phenylalanine,3-bromo-N-[(1,1-dimethylethoxy)carbonyl]- supplier

Name
Boc-L-3-Bromophenylalanine
EINECS
CAS No. 82278-95-3
Article Data1
CAS DataBase
Density 1.405 g/cm³
Solubility
Melting Point
Formula C₁₄H₁₈BrNO₄
Boiling Point 475.3 °C at 760 mmHg
Molecular Weight 344.205
Flash Point 241.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms DL-Phenylalanine,3-bromo-N-[(1,1-dimethylethoxy)carbonyl]-;3-bromo-N-(tert-butoxycarbonyl)-L-phenylalanine;(2S)-3-(3-Bromophenyl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid;3-Bromo-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-phenylalanine;L-phenylalanine, 3-bromo-N-[(1,1-dimethylethoxy)carbonyl]-;
PSA 75.63000
LogP 3.36040

Phenylalanine,3-bromo-N-[(1,1-dimethylethoxy)carbonyl]- Specification

The Phenylalanine,3-bromo-N-[(1,1-dimethylethoxy)carbonyl]-, with the CAS registry number 82278-95-3, has the systematic name of 3-bromo-N-(tert-butoxycarbonyl)-L-phenylalanine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₄H₁₈BrNO₄.

The characteristics of Phenylalanine,3-bromo-N-[(1,1-dimethylethoxy)carbonyl]- are as followings: (1)ACD/LogP: 3.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.6; (4)ACD/LogD (pH 7.4): 0.16; (5)ACD/BCF (pH 5.5): 2.97; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 18.77; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 55.84 Å²; (13)Index of Refraction: 1.551; (14)Molar Refractivity: 78.14 cm³; (15)Molar Volume: 244.8 cm³; (16)Polarizability: 30.98×10^-24cm³; (17)Surface Tension: 46.7 dyne/cm; (18)Density: 1.405 g/cm³; (19)Flash Point: 241.2 °C; (20)Enthalpy of Vaporization: 77.82 kJ/mol; (21)Boiling Point: 475.3 °C at 760 mmHg; (22)Vapour Pressure: 7.71E-10 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1cc(ccc1)C[C@@H](C(=O)O)NC(=O)OC(C)(C)C
(2)InChI: InChI=1/C14H18BrNO4/c1-14(2,3)20-13(19)16-11(12(17)18)8-9-5-4-6-10(15)7-9/h4-7,11H,8H2,1-3H3,(H,16,19)(H,17,18)/t11-/m0/s1
(3)InChIKey: FBUDYESOPLBQIR-NSHDSACABE

Product Name

Boc-L-3-Bromophenylalanine

Phenylalanine,3-bromo-N-[(1,1-dimethylethoxy)carbonyl]- Specification

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