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195387-29-2

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Basic Information
CAS No.: 195387-29-2
Name: 4-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID
Article Data: 6
Molecular Structure:
Molecular Structure of 195387-29-2 (4-(9H-FLUOREN-9-YLMETHOXYCARBONYLAMINO)-1-METHYL-1H-PYRROLE-2-CARBOXYLIC ACID)
Formula: C21H18N2O4
Molecular Weight: 362.385
Synonyms: 4-[(9-Fluorenylmethoxycarbonyl)amino]-1-methyl-2-pyrrole-2-carboxylicacid;
Density: 1.34 g/cm3
Melting Point: ~210 °C (dec.)
Boiling Point: 559.1 °C at 760 mmHg
Flash Point: 291.9 °C
Safety: 24/25
PSA: 80.56000
LogP: 4.15730
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Specification

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