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(S)-N-Fmoc-Allylglycine

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Name

(S)-N-Fmoc-Allylglycine

EINECS 1592732-453-0
CAS No. 146549-21-5 Density 1.245 g/cm3
PSA N/A LogP N/A
Solubility Slightly soluble in water. Melting Point 137.1 °C
Formula C20H19NO4 Boiling Point 563 °C at 760 mmHg
Molecular Weight 337.375 Flash Point 294.3 °C
Transport Information N/A Appearance white to almost white powder
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 146549-21-5 ((S)-N-Fmoc-Allylglycine) Hazard Symbols IrritantXi
Synonyms

4-Pentenoicacid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (S)-;N-Fmoc-allyl-L-glycine;Fmoc-L-Allylglycine;Fmoc-Gly(allyl)-OH;

Article Data 15

(S)-N-Fmoc-Allylglycine Specification

The IUPAC name of Fmoc-L-Allylglycine is (2S)-2-(9H-fluoren-9-ylmethoxycarbonylamino)pent-4-enoic acid. With the CAS registry number 146549-21-5, it is also named as Fmoc-allyl-Gly-OH. The product's categories are Amino Acids; Unusual amino acids; A-amino. Besides, it is white to almost white powder, which should be stored at 2-8 °C. In addition, when you are using this chemical, please avoid contact with skin and eyes.

The other characteristics of Fmoc-L-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: 137.1 °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-/m0/s1
(3)InChIKey: YVBLQCANYSFEBN-SFHVURJKBC
(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-/m0/s1
(5)Std. InChIKey: YVBLQCANYSFEBN-SFHVURJKSA-N

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