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| CAS No.: | 175453-07-3 |
|---|---|
| Name: | (S)-N-Fmoc-(3-Pyridyl)alanine |
| Molecular Structure: | |
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| Formula: | C23H20N2O4 |
| Molecular Weight: | 388.423 |
| Synonyms: | 3-Pyridinepropanoicacid, a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(S)-;N-(9-Fluorenylmethoxycarbonyl)-3-pyridyl-L-alanine;Fmoc-3-(3-pyridyl)-L-alanine; |
| Density: | 1.309 g/cm3 |
| Melting Point: | 155.3 °C |
| Boiling Point: | 645.6 °C at 760 mmHg |
| Flash Point: | 344.3 °C |
| Appearance: | white to off-white crystalline powder |
| Hazard Symbols: |
 Xi
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| Safety: | 22-24/25 |
| PSA: | 88.52000 |
| LogP: | 4.00690 |
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Specification
The CAS register number of (S)-N-Fmoc-(3-Pyridyl)alanine is 175453-07-3. It also can be called as N-(9-Fluorenylmethoxycarbonyl)-3-pyridyl-L-alanine and the IUPAC name about this chemical is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-pyridin-3-ylpropanoic acid. The molecular formula about this chemical is C23H20N2O4 and the molecular weight is 388.42. It belongs to the following product categories, such as Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; Pyridine series; Amino Acid Derivatives; Unusual Amino Acids; A-Amino and so on. When you are using it, please do not breathe dust and avoid contact with skin and eyes.
Physical properties about (S)-N-Fmoc-(3-Pyridyl)alanine are: (1)ACD/LogP: 3.91; (2)ACD/LogD (pH 5.5): 1.53; (3)ACD/LogD (pH 7.4): 0.34; (4)ACD/BCF (pH 5.5): 2.31; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 13.35; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 68.73Å2; (12)Index of Refraction: 1.637; (13)Molar Refractivity: 106.49 cm3; (14)Molar Volume: 296.6 cm3; (15)Polarizability: 42.21x10-24cm3; (16)Surface Tension: 60.8 dyne/cm; (17)Enthalpy of Vaporization: 100.08 kJ/mol; (18)Boiling Point: 645.6 °C at 760 mmHg; (19)Vapour Pressure: 1.5E-17 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)OCC3c1ccccc1c2ccccc23)Cc4cccnc4
(2)InChI: InChI=1/C23H20N2O4/c26-22(27)21(12-15-6-5-11-24-13-15)25-23(28)29-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-11,13,20-21H,12,14H2,(H,25,28)(H,26,27)/t21-/m0/s1
(3)InChIKey: JQLPMTXRCLXOJO-NRFANRHFBA
(4)Std. InChI: InChI=1S/C23H20N2O4/c26-22(27)21(12-15-6-5-11-24-13-15)25-23(28)29-14-20-18-9-3-1-7-16(18)17-8-2-4-10-19(17)20/h1-11,13,20-21H,12,14H2,(H,25,28)(H,26,27)/t21-/m0/s1
(5)Std. InChIKey: JQLPMTXRCLXOJO-NRFANRHFSA-N