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CAS No.: | 170642-28-1 |
---|---|
Name: | (R)-N-Fmoc-Allylglycine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C20H19NO4 |
Molecular Weight: | 337.375 |
Synonyms: | 4-Pentenoicacid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (R)-;Fmoc-D-allylglycine;Fmoc-allyl-Gly-OH;(R)-N-(9-Fluorenylmethoxycarbonyl)-2-amino-4-pentenoic acid; |
Density: | 1.245 g/cm3 |
Melting Point: | 134 °C |
Boiling Point: | 563 °C at 760 mmHg |
Flash Point: | 294.3 °C |
Appearance: | white granular powder |
Hazard Symbols: | Xi |
Risk Codes: | Xi:; "> Xi:; |
Safety: | 24/25-22 |
PSA: | 66.84000 |
LogP: | 3.50810 |
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The IUPAC name of (R)-N-Fmoc-Allylglycine is (2R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid. With the CAS registry number 170642-28-1, it is also named as Fmoc-allyl-Gly-OH. The product's categories are Amino Acids; Unusual amino acids; Amino Acid Derivatives; A-amino. Besides, it is white granular powder, which should be stored in a cool, dry place at 0 °C. In addition, its molecular formula is C20H19NO4 and molecular weight is 337.37. When you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes.
The other characteristics of (R)-N-Fmoc-Allylglycine can be summarized as: (1)ACD/LogP: 4.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.3; (4)ACD/LogD (pH 7.4): 0.9; (5)ACD/BCF (pH 5.5): 9.94; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 43.3; (8)ACD/KOC (pH 7.4): 1.69; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.602; (14)Molar Refractivity: 92.9 cm3; (15)Molar Volume: 270.8 cm3; (16)Polarizability: 36.83×10-24cm3; (17)Surface Tension: 52.9 dyne/cm; (18)Density: 1.245 g/cm3; (19)Flash Point: 294.3 °C; (20)Melting point: 134 °C; (21)Enthalpy of Vaporization: 89.03 kJ/mol; (22)Boiling Point: 563 °C at 760 mmHg; (23)Vapour Pressure: 1.64E-13 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)[C@H](NC(=O)OCC3c1ccccc1c2c3cccc2)C\C=C
(2)InChI: InChI=1/C20H19NO4/c1-2-7-18(19(22)23)21-20(24)25-12-17-15-10-5-3-8-13(15)14-9-4-6-11-16(14)17/h2-6,8-11,17-18H,1,7,12H2,(H,21,24)(H,22,23)/t18-/m1/s1
(3)InChIKey: YVBLQCANYSFEBN-GOSISDBHBY
(4)Std. InChI: InChI=1S/C20H19NO4/c1-2-7-18(19(22)23)21-20(24)25-12-17-15-10-5-3-8-13(15)14-9-4-6-11-16(14)17/h2-6,8-11,17-18H,1,7,12H2,(H,21,24)(H,22,23)/t18-/m1/s1
(5)Std. InChIKey: YVBLQCANYSFEBN-GOSISDBHSA-N