Phenylalanine,2,4,6-trimethyl- supplier

Name
2,4,6-Trifluoro-DL-Phenylalanine
EINECS
CAS No. 76932-42-8
Article Data2
CAS DataBase
Density 1.112 g/cm³
Solubility
Melting Point
Formula C₁₂H₁₇NO₂
Boiling Point 357.2 °C at 760 mmHg
Molecular Weight 207.272
Flash Point 169.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Alanine,3-mesityl- (6CI);DL-Phenylalanine, 2,4,6-trimethyl-;DL-2,4,6-Trimethylphenylalanine;2,4,6-trimethylphenylalanine;phenylalanine, 2,4,6-trimethyl-;
PSA 63.32000
LogP 2.26650

Phenylalanine,2,4,6-trimethyl- Specification

The Phenylalanine,2,4,6-trimethyl-, with the CAS registry number 76932-42-8, has the systematic name of 2,4,6-trimethylphenylalanine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₁₂H₁₇NO₂.

The characteristics of Phenylalanine,2,4,6-trimethyl- are as followings: (1)ACD/LogP: 2.49; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.71; (6)ACD/KOC (pH 7.4): 1.7; (7)#H bond acceptors: 3; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 29.54 Å²; (11)Index of Refraction: 1.557; (12)Molar Refractivity: 59.96 cm³; (13)Molar Volume: 186.2 cm³; (14)Polarizability: 23.77×10^-24cm³; (15)Surface Tension: 45.8 dyne/cm; (16)Density: 1.112 g/cm³; (17)Flash Point: 169.8 °C; (18)Enthalpy of Vaporization: 63.58 kJ/mol; (19)Boiling Point: 357.2 °C at 760 mmHg; (20)Vapour Pressure: 1.01E-05 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)C(N)Cc1c(cc(cc1C)C)C
(2)InChI: InChI=1/C12H17NO2/c1-7-4-8(2)10(9(3)5-7)6-11(13)12(14)15/h4-5,11H,6,13H2,1-3H3,(H,14,15)
(3)InChIKey: CRNOZLNQYAUXRK-UHFFFAOYAI

Product Name

2,4,6-Trifluoro-DL-Phenylalanine

Phenylalanine,2,4,6-trimethyl- Specification

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