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CAS No.: | 145206-40-2 |
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Name: | BOC-L-2-FURYLALANINE DCHA SALT |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C12H17NO5 |
Molecular Weight: | 436.58 |
Synonyms: | 2-Furanpropanoicacid, a-[[(1,1-dimethylethoxy)carbonyl]amino]-,(S)-;(2S)-2-[(tert-Butoxycarbonyl)amino]-3-(furan-2-yl)propionic acid;N-(tert-butoxycarbonyl)-3-furan-2-yl-L-alanine;(2S)-3-(2-Furyl)-2-({[(2-methyl-2-propanyl)oxy]carbonyl}amino)propanoic acid;2-furanpropanoic acid, α-[[(1,1-dimethylethoxy)carbonyl]amino]-, (alphaS)-;3-(2-Furyl)-N-{[(2-methyl-2-propanyl)oxy]carbonyl}-L-alanine;N-(tert-Butoxycarbonyl)-3-(2-furyl)-L-alanine;Boc-D-3-(2-Furyl)alanine;Boc-L-3-(2-Furyl)alanine; |
Density: | 1.207 g/cm3 |
Boiling Point: | 406.4 °C at 760 mmHg |
Flash Point: | 199.6 °C |
Hazard Symbols: | Xi |
PSA: | 88.77000 |
LogP: | 2.19090 |
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The Boc-L-3-(2-Furyl)alanine, with the CAS registry number 145206-40-2, has the systematic name of N-(tert-butoxycarbonyl)-3-furan-2-yl-L-alanine. It belongs to the following product categories: Amino Acids; Amino Acid Derivatives; a-amino. And the molecular formula of the chemical is C12H17NO5.
The characteristics of Boc-L-3-(2-Furyl)alanine are as followings: (1)ACD/LogP: 2.13; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.07; (4)ACD/LogD (pH 7.4): -1.47; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 2.19; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 6; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 68.98 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 62.75 cm3; (15)Molar Volume: 211.4 cm3; (16)Polarizability: 24.87×10-24cm3; (17)Surface Tension: 43.6 dyne/cm; (18)Density: 1.207 g/cm3; (19)Flash Point: 199.6 °C; (20)Enthalpy of Vaporization: 69.4 kJ/mol; (21)Boiling Point: 406.4 °C at 760 mmHg; (22)Vapour Pressure: 2.47E-07 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N[C@H](C(=O)O)Cc1occc1
(2)InChI: InChI=1/C12H17NO5/c1-12(2,3)18-11(16)13-9(10(14)15)7-8-5-4-6-17-8/h4-6,9H,7H2,1-3H3,(H,13,16)(H,14,15)/t9-/m0/s1
(3)InChIKey: YWLUWSMJXXBOLV-VIFPVBQEBY