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4-(((9H-Fluoren-9-yl)methoxy)carbonylamino)butanoic acid

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Name

4-(((9H-Fluoren-9-yl)methoxy)carbonylamino)butanoic acid

EINECS 1533716-785-6
CAS No. 116821-47-7 Density 1.256 g/cm3
PSA 75.63000 LogP 3.78080
Solubility Slightly soluble in water. Melting Point 172.0 to 176.0 °C
Formula C19H19NO4 Boiling Point 571.9 °C at 760 mmHg
Molecular Weight 325.364 Flash Point 299.7 °C
Transport Information N/A Appearance Colorless and transparent liquid
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 116821-47-7 (FMOC-GAMMA-ABU-OH) Hazard Symbols N/A
Synonyms

4-(Fmocamino)butyricacid;4-N-(9-Fluorenylmethoxycarbonyl)aminobutyric acid;4-[(9-Fluorenylmethoxycarbonyl)amino]butanoicacid;4-[(9-Fluorenylmethoxycarbonyl)amino]butyric acid;Fmoc-GABA-OH;4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid;N-Fmoc-DL-4-amino-butyric acid;butanoic acid, 4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-;4-{[(9H-Fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid;

Article Data 17

4-(((9H-Fluoren-9-yl)methoxy)carbonylamino)butanoic acid Specification

The 4-(((9H-Fluoren-9-yl)methoxy)carbonylamino)butanoic acid, with the CAS registry number 116821-47-7, has the systematic name of 4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}butanoic acid. And the molecular formula of this chemical is C19H19NO4. It belongs to the product categories of Miscellaneous Amino Acids; Amino Acids. And it should be stored at 2-8°C. What's more, while dealing with this chemical, you should not breathe dust and then try to avoid contacting with skin and eyes.
 
The physical properties of 4-(((9H-Fluoren-9-yl)methoxy)carbonylamino)butanoic acid are as following: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.65; (4)ACD/LogD (pH 7.4): 0.85; (5)ACD/BCF (pH 5.5): 36.41; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 248.17; (8)ACD/KOC (pH 7.4): 3.9; (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: 1.6; (14)Molar Refractivity: 88.58 cm3; (15)Molar Volume: 258.8 cm3; (16)Polarizability: 35.11×10-24cm3; (17)Surface Tension: 54.8 dyne/cm; (18)Density: 1.256 g/cm3; (19)Flash Point: 299.7 °C; (20)Enthalpy of Vaporization: 90.2 kJ/mol; (21)Boiling Point: 571.9 °C at 760 mmHg; (22)Vapour Pressure: 6.43E-14 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCNC(=O)OCC3c1ccccc1c2c3cccc2
(2)InChI: InChI=1/C19H19NO4/c21-18(22)10-5-11-20-19(23)24-12-17-15-8-3-1-6-13(15)14-7-2-4-9-16(14)17/h1-4,6-9,17H,5,10-12H2,(H,20,23)(H,21,22)
(3)InChIKey: ACUIFAAXWDLLTR-UHFFFAOYAC

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