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| CAS No.: | 88574-06-5 |
|---|---|
| Name: | FMOC-6-AMINOHEXANOIC ACID |
| Molecular Structure: | |
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| Formula: | C21H23NO4 |
| Molecular Weight: | 353.418 |
| Synonyms: | 6-(9-Fluorenylmethoxycarbonylamino)hexanoicacid;6-(Fmoc-amino)hexanoic acid;6-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]hexanoicacid;AF 11605;N-(9-Fluorenylmethoxycarbonyl)-e-aminocaproic acid;N-9-Fluorenylmethoxycarbonyl-6-aminohexanoic acid;N-Fmoc-6-aminocaproic acid;Fmoc-ε-Acp-OH; |
| Density: | 1.21 g/cm3 |
| Melting Point: | 114 °C |
| Boiling Point: | 582.7 °C at 760 mmHg |
| Flash Point: | 306.2 °C |
| Solubility: | Soluble in 1% acetic acid, water and 1mmol in 2mL DMF clearly soluble. |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26 |
| PSA: | 75.63000 |
| LogP: | 4.56100 |
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Specification
The Hexanoic acid,6-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, with the CAS registry number 88574-06-5, has the IUPAC name of 6-(9H-fluoren-9-ylmethoxycarbonylamino)hexanoic acid. It belongs to the following product categories: Amino Acids; Unusual Amino Acids; Amino Acid Derivatives, and should be stored in the dry sealed containers with temperature of 2-8°C. The molecular formula of the chemical is C21H23NO4.
The characteristics of Hexanoic acid,6-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]- are as followings: (1)ACD/LogP: 4.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.29; (4)ACD/LogD (pH 7.4): 1.49; (5)ACD/BCF (pH 5.5): 117.09; (6)ACD/BCF (pH 7.4): 1.87; (7)ACD/KOC (pH 5.5): 613.05; (8)ACD/KOC (pH 7.4): 9.77; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 55.84 ?2; (13)Index of Refraction: 1.585; (14)Molar Refractivity: 97.85 cm3; (15)Molar Volume: 291.8 cm3; (16)Polarizability: 38.79 10-24cm3; (17)Surface Tension: 52 dyne/cm; (18)Density: 1.21 g/cm3; (19)Flash Point: 306.2 °C; (20)Enthalpy of Vaporization: 91.62 kJ/mol; (21)Boiling Point: 582.7 °C at 760 mmHg; (22)Vapour Pressure: 2.02E-14 mmHg at 25°C.
Preparation of Hexanoic acid,6-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-: This chemical can be prepared by 6-amino-hexanoic acid and 9H-fluoren-9-ylmethyl chloroformate. The reaction will need reagent 10 % aq. Na2CO3, and the menstruum dioxane. The reaction time is 16 hours with ambient temperature, and the yield is about 75%.
Uses of Hexanoic acid,6-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-: It can react with pentafluorophenol to produce 6-(9H-fluoren-9-ylmethoxycarbonylamino)-hexanoic acid pentafluorophenyl ester. This reaction will need reagent dicyclohexylcarbodiimide, and the menstruum tetrahydrofuran. And the yield is about 95%.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better wear suitable protective clothings.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(O)CCCCCNC(=O)OCC3c1ccccc1c2c3cccc2
(2)InChI: InChI=1/C21H23NO4/c23-20(24)12-2-1-7-13-22-21(25)26-14-19-17-10-5-3-8-15(17)16-9-4-6-11-18(16)19/h3-6,8-11,19H,1-2,7,12-14H2,(H,22,25)(H,23,24)
(3)InChIKey: FPCPONSZWYDXRD-UHFFFAOYAG