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Fmoc-L-beta-homoproline

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Name

Fmoc-L-beta-homoproline

EINECS N/A
CAS No. 193693-60-6 Density 1.282 g/cm3
PSA 66.84000 LogP 3.81250
Solubility N/A Melting Point 175-177 °C
Formula C21H21NO4 Boiling Point 562.1 °C at 760 mmHg
Molecular Weight 351.402 Flash Point 293.7 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 193693-60-6 (Fmoc-L-beta-homoproline) Hazard Symbols N/A
Synonyms

2-Pyrrolidineaceticacid, 1-[(9H-fluoren-9-ylmethoxy)carbonyl]-, (S)-;{(2S)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidin-2-yl}acetic acid;

Article Data 2

Fmoc-L-beta-homoproline Specification

The Fmoc-L-beta-homoproline, with the CAS registry number 193693-60-6, has the systematic name of {(2S)-1-[(9H-fluoren-9-ylmethoxy)carbonyl]pyrrolidin-2-yl}acetic acid. This chemical should be stored at 2-8°C, and it belongs to the product categories of β-Homo Amino Acids and Beta amino acids. The molecular formula of the chemical is C21H21NO4. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.

The characteristics of Fmoc-L-beta-homoproline as followings: (1)ACD/LogP: 3.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.34; (4)ACD/LogD (pH 7.4): 0.54; (5)ACD/BCF (pH 5.5): 20.59; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 158.92; (8)ACD/KOC (pH 7.4): 2.5; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.615; (14)Molar Refractivity: 95.66 cm3; (15)Molar Volume: 273.9 cm3; (16)Polarizability: 37.92×10-24cm3; (17)Surface Tension: 54.8 dyne/cm; (18)Density: 1.282 g/cm3; (19)Flash Point: 293.7 °C; (20)Enthalpy of Vaporization: 88.91 kJ/mol; (21)Boiling Point: 562.1 °C at 760 mmHg; (22)Vapour Pressure: 1.8E-13 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(OCC3c1ccccc1c2ccccc23)N4[C@H](CC(=O)O)CCC4
(2)InChI: InChI=1/C21H21NO4/c23-20(24)12-14-6-5-11-22(14)21(25)26-13-19-17-9-3-1-7-15(17)16-8-2-4-10-18(16)19/h1-4,7-10,14,19H,5-6,11-13H2,(H,23,24)/t14-/m0/s1
(3)InChIKey: ZNIGOUDZWCDFFC-AWEZNQCLBE

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