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167690-53-1

Basic Information
CAS No.: 167690-53-1
Name: FMOC-TRANEXAMIC ACID
Article Data: 5
Molecular Structure:
Molecular Structure of 167690-53-1 (FMOC-TRANEXAMIC ACID)
Formula: C23H25NO4
Molecular Weight: 379.456
Synonyms: N-Fmoc-tranexamic acid;trans-4-(Fmoc-aminomethyl)cyclohexanecarboxylic acid;
Density: 1.226 g/cm3
Melting Point: 188 °C
Boiling Point: 604.9 °C at 760 mmHg
Flash Point: 319.6 °C
PSA: 75.63000
LogP: 4.80700
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  • N-FMOC-TRANEXAMIC ACID  CAS NO.167690-53-1

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Specification

The trans-4-(Fmoc-aminomethyl)cyclohexanecarboxylic acid with the cas number 167690-53-1 is also called N-Fmoc-tranexamic acid. The IUPAC name is 4-[(9H-fluoren-9-ylmethoxycarbonylamino)methyl]cyclohexane-1-carboxylic acid. Its molecular formula is C23H25NO4. This chemical belongs to the following product categories: (1)Miscellaneous Amino Acids; (2)Amino Acids. It should be stored at 2-8°C.

The properties of the chemical are: (1)ACD/LogP: 4.54; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.89; (4)ACD/LogD (pH 7.4): 2.12; (5)ACD/BCF (pH 5.5): 370.19; (6)ACD/BCF (pH 7.4): 6.27; (7)ACD/KOC (pH 5.5): 1567.97; (8)ACD/KOC (pH 7.4): 26.56; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 75.63 Å2; (13)Index of Refraction: 1.593; (14)Molar Refractivity: 104.91 cm3; (15)Molar Volume: 309.4 cm3; (16)Polarizability: 41.59×10-24cm3; (17)Surface Tension: 50.6 dyne/cm; (18)Enthalpy of Vaporization: 94.58 kJ/mol ; (19)Vapour Pressure: 1.75×10-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OC(=O)[C@@H]4CC[C@@H](CNC(=O)OCC3c1ccccc1c2ccccc23)CC4
(2)InChI: InChI=1/C23H25NO4/c25-22(26)16-11-9-15(10-12-16)13-24-23(27)28-14-21-19-7-3-1-5-17(19)18-6-2-4-8-20(18)21/h1-8,15-16,21H,9-14H2,(H,24,27)(H,25,26)/t15-,16-
(3)InChIKey: MLMIBGARTUSGND-WKILWMFIBE