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Name |
1H-Pyrrole-2-carboxylicacid, 4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-1-methyl- |
EINECS | N/A |
CAS No. | 195387-29-2 | Density | 1.34 g/cm3 |
PSA | 80.56000 | LogP | 4.15730 |
Solubility | N/A | Melting Point |
~210 °C (dec.) |
Formula | C21H18N2O4 | Boiling Point | 559.1 °C at 760 mmHg |
Molecular Weight | 362.385 | Flash Point | 291.9 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 24/25 | Risk Codes | N/A |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
4-[(9-Fluorenylmethoxycarbonyl)amino]-1-methyl-2-pyrrole-2-carboxylicacid; |
Article Data | 6 |
The 1H-Pyrrole-2-carboxylicacid, 4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-1-methyl-, with the CAS registry number 195387-29-2, is also known as 4-(Fmoc-amino)-1-methylpyrrole-2-carboxylic acid. It belongs to the product categories of Fmoc; Others; Peptide Synthesis; Unnatural Amino Acid Derivatives. This chemical's molecular formula is C21H18N2O4 and molecular weight is 362.3786. Its systematic name is called 4-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-1-methyl-1H-pyrrole-2-carboxylic acid.
Physical properties of 1H-Pyrrole-2-carboxylicacid, 4-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-1-methyl-: (1)ACD/LogP: 4.46; (2)ACD/LogD (pH 5.5): 3.48; (3)ACD/LogD (pH 7.4): 1.8; (4)ACD/BCF (pH 5.5): 153.01; (5)ACD/BCF (pH 7.4): 3.15; (6)ACD/KOC (pH 5.5): 674.4; (7)ACD/KOC (pH 7.4): 13.9; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.663; (12)Molar Refractivity: 99.9 cm3; (13)Molar Volume: 269.4 cm3; (14)Surface Tension: 53.4 dyne/cm; (15)Density: 1.34 g/cm3; (16)Flash Point: 291.9 °C; (17)Enthalpy of Vaporization: 88.52 kJ/mol; (18)Boiling Point: 559.1 °C at 760 mmHg; (19)Vapour Pressure: 2.46E-13 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC3c1ccccc1c2ccccc23)Nc4cc(C(=O)O)n(c4)C
(2)InChI: InChI=1/C21H18N2O4/c1-23-11-13(10-19(23)20(24)25)22-21(26)27-12-18-16-8-4-2-6-14(16)15-7-3-5-9-17(15)18/h2-11,18H,12H2,1H3,(H,22,26)(H,24,25)
(3)InChIKey: GHRPKWXGCOWBLD-UHFFFAOYAW