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| CAS No.: | 37535-57-2 |
|---|---|
| Name: | (S)-N-Boc-(4-Pyridyl)alanine |
| Molecular Structure: | |
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| Formula: | C13H18N2O4 |
| Molecular Weight: | 266.29 |
| Synonyms: | 4-Pyridinepropanoicacid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(S)-;(S)-N-tert-Butoxycarbonyl-3-(pyridin-4-yl)alanine;Boc-4-Pal-OH;Boc-Ala(4-pyridyl)-OH;Boc-3-(4-pyridyl)-L-alanine;N-tert-Butoxycarbonyl-3-(4-pyridyl)-L-alanine; |
| Density: | 1.2 g/cm3 |
| Melting Point: | 224oC |
| Boiling Point: | 454.3 °C at 760 mmHg |
| Flash Point: | 228.5 °C |
| Appearance: | off-white to light yellow powder |
| Hazard Symbols: |
 Xi
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| PSA: | 88.52000 |
| LogP: | 1.99290 |
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Specification
The CAS register number of (S)-N-Boc-(4-Pyridyl)alanine is 37535-57-2. It also can be called as N-tert-Butoxycarbonyl-3-(4-pyridyl)-L-alanine and the IUPAC name about this chemical is (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridin-4-ylpropanoate. The molecular formula about this chemical is C13H18N2O4 and the molecular weight is 266.29. It belongs to the following product categories, such as Amino Acids; Phenylalanine analogs and other aromatic alpha amino acids; Amino Acid Derivatives; Unusual Amino Acids; A-Amino and so on.
Physical properties about (S)-N-Boc-(4-Pyridyl)alanine are: (1)ACD/LogP: 1.47; (2)ACD/LogD (pH 5.5): -0.95; (3)ACD/LogD (pH 7.4): -2; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 68.73Å2; (12)Index of Refraction: 1.53; (13)Molar Refractivity: 68.54 cm3; (14)Molar Volume: 221.8 cm3; (15)Polarizability: 27.17x10-24cm3; (16)Surface Tension: 47.9 dyne/cm; (17)Enthalpy of Vaporization: 75.22 kJ/mol; (18)Boiling Point: 454.3 °C at 760 mmHg; (19)Vapour Pressure: 4.82E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@@H](C(=O)O)Cc1ccncc1
(2)InChI: InChI=1/C13H18N2O4/c1-13(2,3)19-12(18)15-10(11(16)17)8-9-4-6-14-7-5-9/h4-7,10H,8H2,1-3H3,(H,15,18)(H,16,17)/t10-/m1/s1
(3)InChIKey: FNYWDMKESUACOU-SNVBAGLBBQ
(4)Std. InChI: InChI=1S/C13H18N2O4/c1-13(2,3)19-12(18)15-10(11(16)17)8-9-4-6-14-7-5-9/h4-7,10H,8H2,1-3H3,(H,15,18)(H,16,17)/t10-/m1/s1
(5)Std. InChIKey: FNYWDMKESUACOU-SNVBAGLBSA-N