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Basic Information
CAS No.: 128545-09-5
Name: N-FMOC-3-(triphenylmethyl)-L-histidine
Molecular Structure:
Molecular Structure of 128545-09-5 (N-FMOC-3-(triphenylmethyl)-L-histidine)
Formula: C40H33N3O4
Molecular Weight: 619.71
Synonyms: N-FMOC-3-(triphenylmethyl)-L-histidine;
Density: 1.24 g/cm3
Melting Point: 150-155℃
Boiling Point: 811.7 °C at 760 mmHg
Flash Point: 444.7 °C
Hazard Symbols:
Risk Codes: R36/37/38
Safety: S26;S37/39
PSA: 93.45000
LogP: 7.64860
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Specification

The N-FMOC-3-(triphenylmethyl)-L-histidine with the cas number 128545-09-5 is also called L-Histidine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-(triphenylmethyl)-. The systematic name is N-[(9H-fluoren-9-ylmethoxy)carbonyl]-3-trityl-L-histidine. Its molecular formula is C40H33N3O4.

The properties of the chemical are: (1)ACD/LogP: 8.03; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 5.59; (4)ACD/LogD (pH 7.4): 4.75; (5)ACD/BCF (pH 5.5): 2716.63; (6)ACD/BCF (pH 7.4): 393.89; (7)ACD/KOC (pH 5.5): 2023.72; (8)ACD/KOC (pH 7.4): 293.42; (9)#H bond acceptors: 7; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 73.66 Å2; (13)Index of Refraction: 1.656; (14)Molar Refractivity: 183.59 cm3; (15)Molar Volume: 499.4 cm3; (16)Polarizability: 72.78×10-24cm3; (17)Surface Tension: 51.8 dyne/cm; (18)Enthalpy of Vaporization: 123.72 kJ/mol; (19)Vapour Pressure: 7.59×10-28 mmHg at 25°C.

While using this chemical, you should be very cautious. This chemical is not only irritating to skin, but also irritating to eyes and respiratory system. Therefore, you should take the following instructions. Firstly, you should wear suitable gloves and eye/face protection. Then in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)OCC3c1ccccc1c2ccccc23)Cc4cncn4C(c5ccccc5)(c6ccccc6)c7ccccc7
(2)InChI: InChI=1/C40H33N3O4/c44-38(45)37(42-39(46)47-26-36-34-22-12-10-20-32(34)33-21-11-13-23-35(33)36)24-31-25-41-27-43(31)40(28-14-4-1-5-15-28,29-16-6-2-7-17-29)30-18-8-3-9-19-30/h1-23,25,27,36-37H,24,26H2,(H,42,46)(H,44,45)/t37-/m0/s1
(3)InChIKey: LCDUPKDPUSBXAY-QNGWXLTQBD