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CAS No.: | 274262-82-7 |
---|---|
Name: | D-4-TERT-BUTYL-PHE |
Article Data: | 5 |
Molecular Structure: | |
Formula: | C13H19NO2 |
Molecular Weight: | 221.299 |
Synonyms: | 4-tert-Butyl-D-phenylalanine; |
Density: | 1.084 g/cm3 |
Boiling Point: | 347.5 °C at 760 mmHg |
Flash Point: | 164 °C |
Hazard Symbols: | Xi |
Risk Codes: | 25 |
Safety: | 45 |
PSA: | 63.32000 |
LogP: | 2.63880 |
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The CAS register number of D-4-tetr-Butylphenylalanine is 274262-82-7. It also can be called as 4-tert-Butyl-D-phenylalanine and the systematic name about this chemical is (2R)-2-ammonio-3-(4-tert-butylphenyl)propanoate. The molecular formula about this chemical is C13H19NO2 and the molecular weight is 221.29. It belongs to the Phenylalanine analogs and other aromatic alpha amino acids.
Physical properties about D-4-tetr-Butylphenylalanine are: (1)ACD/LogP: 2.80; (2)ACD/LogD (pH 5.5): 0.3; (3)ACD/LogD (pH 7.4): 0.3; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 2.52; (7)ACD/KOC (pH 7.4): 2.49; (8)#H bond acceptors: 3; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 37.3Å2; (12)Index of Refraction: 1.538; (13)Molar Refractivity: 63.88 cm3; (14)Molar Volume: 204.1 cm3; (15)Polarizability: 25.32x10-24cm3; (16)Surface Tension: 42 dyne/cm; (17)Enthalpy of Vaporization: 62.45 kJ/mol; (18)Boiling Point: 347.5 °C at 760 mmHg; (19)Vapour Pressure: 2.02E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]C(=O)[C@@H](Cc1ccc(cc1)C(C)(C)C)[NH3+]
(2)InChI: InChI=1/C13H19NO2/c1-13(2,3)10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m1/s1
(3)InChIKey: CSJZKSXYLTYFPU-LLVKDONJBP
(4)Std. InChI: InChI=1S/C13H19NO2/c1-13(2,3)10-6-4-9(5-7-10)8-11(14)12(15)16/h4-7,11H,8,14H2,1-3H3,(H,15,16)/t11-/m1/s1
(5)Std. InChIKey: CSJZKSXYLTYFPU-LLVKDONJSA-N