CAS No.288617-71-0,(S)-N-Fmoc-2-(2'-propylenyl)alanine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	288617-71-0
Name:	(S)-N-Fmoc-2-(2'-propylenyl)alanine
Article Data:	5

Formula:	C₂₁H₂₁NO₄
Molecular Weight:	351.3957
Synonyms:	(S)-N-Fmoc-2-(2'-propylenyl)alanine;
Density:	1.224 g/cm³
Boiling Point:	564.259 °C at 760 mmHg
Flash Point:	295.054 °C
Hazard Symbols:	N
Risk Codes:	50
Safety:	61
PSA:	75.63000
LogP:	4.33540

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Specification

The (S)-N-(9-Fluorenylmethylcarbamate)-2-(2'-propylenyl)alanine, with the CAS registry number 288617-71-0, is also known as 4-Pentenoic acid, 2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-2-methyl-, (2S)-. This chemical's molecular formula is C₂₁H₂₁NO₄ and molecular weight is 351.3957. Its systematic name is called (2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-2-methylpent-4-enoic acid.

Physical properties of (S)-N-(9-Fluorenylmethylcarbamate)-2-(2'-propylenyl)alanine: (1)ACD/LogP: 4.62; (2)ACD/LogD (pH 5.5): 2.588; (3)ACD/LogD (pH 7.4): 1.087; (4)ACD/BCF (pH 5.5): 17.782; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 72.331; (7)ACD/KOC (pH 7.4): 2.28; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.595; (12)Molar Refractivity: 97.545 cm³; (13)Molar Volume: 287.011 cm³; (14)Surface Tension: 51.315 dyne/cm; (15)Density: 1.224 g/cm³; (16)Flash Point: 295.054 °C; (17)Enthalpy of Vaporization: 89.199 kJ/mol; (18)Boiling Point: 564.259 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C[C@](CC=C)(C(=O)O)NC(=O)OCC1c2ccccc2-c3c1cccc3
(2)InChI: InChI=1/C21H21NO4/c1-3-12-21(2,19(23)24)22-20(25)26-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h3-11,18H,1,12-13H2,2H3,(H,22,25)(H,23,24)/t21-/m0/s1
(3)InChIKey: FNCSRFHDUZYOCR-NRFANRHFBL