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CAS No.: | 210820-99-8 |
---|---|
Name: | Fmoc-L-His(Boc)-OH Dcha |
Molecular Structure: | |
Formula: | C32H40N4O6 |
Molecular Weight: | 576.6832 |
Synonyms: | Fmoc-His(Boc)-OH cyclohexylamine salt; |
Boiling Point: | 766.1 °C at 760 mmHg |
Flash Point: | 417.1 °C |
Safety: | 22-24/25 |
PSA: | 145.77000 |
LogP: | 6.56970 |
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The Fmoc-L-His(Boc)-OH Dcha, with the CAS registry number 210820-99-8, is also known as Fmoc-His(Boc)-OH cyclohexylamine salt. This chemical's molecular formula is C32H40N4O6 and molecular weight is 576.6832. What's more, its systematic name is 1-(tert-Butoxycarbonyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-histidine - cyclohexanamine (1:1). In addition, this chemical must be stored at -20 °C. Besides, the dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.
Physical properties about Fmoc-L-His(Boc)-OH Dcha are: (1)ACD/LogP: 5.89; (2)# of Rule of 5 Violations: 3; (3)#H bond acceptors: 10; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 103.2 Å2; (7)Flash Point: 417.1 °C; (8)Enthalpy of Vaporization: 117.04 kJ/mol; (9)Boiling Point: 766.1 °C at 760 mmHg; (10)Vapour Pressure: 1.1E-24 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)[C@@H](NC(=O)OCC3c1ccccc1c2ccccc23)Cc4ncn(C(=O)OC(C)(C)C)c4.NC1CCCCC1
(2) InChI: InChI=1/C26H27N3O6.C6H13N/c1-26(2,3)35-25(33)29-13-16(27-15-29)12-22(23(30)31)28-24(32)34-14-21-19-10-6-4-8-17(19)18-9-5-7-11-20(18)21;7-6-4-2-1-3-5-6/h4-11,13,15,21-22H,12,14H2,1-3H3,(H,28,32)(H,30,31);6H,1-5,7H2/t22-;/m0./s1
(3) InChIKey: UDEXYAHZNOKVIG-FTBISJDPBK