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CAS No.: | 209252-15-3 |
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Name: | Fmoc-(S)-3-Amino-3-phenylpropionic acid |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C24H21NO4 |
Molecular Weight: | 387.43 |
Synonyms: | (S)-3-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-3-phenylpropanoicacid;(S)-N-Fmoc-3-Amino-3-phenylpropionic acid; |
Density: | 1.275 g/cm3 |
Melting Point: | 187.3 °C |
Boiling Point: | 617 °C at 760 mmHg |
Flash Point: | 326.9 °C |
Appearance: | white to light yellow powder |
Safety: | 24/25 |
PSA: | 75.63000 |
LogP: | 5.13200 |
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The Benzenepropanoic acid, beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(betaS)-, with the CAS registry number 209252-15-3, is also known as Benzenepropanoic acid, β-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (betaS)-. It belongs to the product categories of 3-Amino-3-phenylpropionic Acid Analogs; 3-Amino-3-phenylpropanoic Acid Analogs; Amino Acid Derivatives; B-Amino. This chemical's molecular formula is C24H21NO4 and formula weight is 387.43. What's more, its IUPAC name is called (3R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-3-phenylpropanoate. This chemical is white to light yellow powder. When you are using this chemical, please be cautious about it, you should avoid contacting it with skin and eyes.
Physical properties of Benzenepropanoic acid, beta-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(betaS)-: (1)ACD/LogP: 5.16; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.75; (4)ACD/LogD (pH 7.4): 1.99; (5)ACD/BCF (pH 5.5): 189.73; (6)ACD/BCF (pH 7.4): 3.34; (7)ACD/KOC (pH 5.5): 590.14; (8)ACD/KOC (pH 7.4): 10.4; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Index of Refraction: 1.632; (13)Molar Refractivity: 108.44 cm3; (14)Molar Volume: 303.7 cm3; (15)Surface Tension: 57.2 dyne/cm; (16)Density: 1.275 g/cm3; (17)Melting Point: 187.3 °C; (18)Flash Point: 326.9 °C; (19)Enthalpy of Vaporization: 96.2 kJ/mol; (20)Boiling Point: 617 °C at 760 mmHg; (21)Vapour Pressure: 4.43E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)C[C@@H](c1ccccc1)NC(=O)OCC4c2ccccc2c3c4cccc3
(2)InChI: InChI=1/C24H21NO4/c26-23(27)14-22(16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h1-13,21-22H,14-15H2,(H,25,28)(H,26,27)/t22-/m0/s1
(3)InChIKey: PTSLRPMRTOVHAB-QFIPXVFZBW