trans-4-(Fmoc-aminomethyl)cyclohexanecarboxylic acid supplier

Name
FMOC-TRANEXAMIC ACID
EINECS
CAS No. 167690-53-1
Article Data5
CAS DataBase
Density 1.226 g/cm³
Solubility
Melting Point 188 °C
Formula C₂₃H₂₅NO₄
Boiling Point 604.9 °C at 760 mmHg
Molecular Weight 379.456
Flash Point 319.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms N-Fmoc-tranexamic acid;trans-4-(Fmoc-aminomethyl)cyclohexanecarboxylic acid;
PSA 75.63000
LogP 4.80700

trans-4-(Fmoc-aminomethyl)cyclohexanecarboxylic acid 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

Product Name

FMOC-TRANEXAMIC ACID

trans-4-(Fmoc-aminomethyl)cyclohexanecarboxylic acid Specification

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