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CAS No.: | 144701-25-7 |
---|---|
Name: | FMOC-D-CHA-OH |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C24H27NO4 |
Molecular Weight: | 393.483 |
Synonyms: | Fmoc-3-cyclohexyl-D-alanine;Fmoc-D-Cha-OH; |
Density: | 1.209 g/cm3 |
Boiling Point: | 610.5 °C at 760 mmHg |
Flash Point: | 323 °C |
Safety: | 22-24/25 |
PSA: | 75.63000 |
LogP: | 5.33960 |
The CAS register number of Cyclohexanepropanoicacid, a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(aR)- is 144701-25-7. It also can be called as Fmoc-3-cyclohexyl-D-alanine and the IUPAC name about this chemical is methyl N-(4-methylpyridin-2-yl)carbamodithioate. The molecular formula about this chemical is C24H27NO4 and the molecular weight is 393.47. It belongs to the following product categories, such as Amino Acids; Peptide and so on. When you are using it, please do not breathe dust and avoid contact with skin and eyes.
Physical properties about Cyclohexanepropanoicacid, a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(aR)- are: (1)ACD/LogP: 6.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 4.12; (4)ACD/LogD (pH 7.4): 2.61; (5)ACD/BCF (pH 5.5): 261.71; (6)ACD/BCF (pH 7.4): 8.07; (7)ACD/KOC (pH 5.5): 501.01; (8)ACD/KOC (pH 7.4): 15.45; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 109.59 cm3; (15)Molar Volume: 325.2 cm3; (16)Polarizability: 43.44x10-24cm3; (17)Surface Tension: 52.3 dyne/cm; (18)Enthalpy of Vaporization: 95.32 kJ/mol; (19)Boiling Point: 610.5 °C at 760 mmHg; (20)Vapour Pressure: 9.3E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@H](NC(=O)OCC3c1ccccc1c2ccccc23)CC4CCCCC4
(2)InChI: InChI=1/C24H27NO4/c26-23(27)22(14-16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,16,21-22H,1-3,8-9,14-15H2,(H,25,28)(H,26,27)/t22-/m1/s1
(3)InChIKey: HIJAUEZBPWTKIV-JOCHJYFZBU
(4)Std. InChI: InChI=1S/C24H27NO4/c26-23(27)22(14-16-8-2-1-3-9-16)25-24(28)29-15-21-19-12-6-4-10-17(19)18-11-5-7-13-20(18)21/h4-7,10-13,16,21-22H,1-3,8-9,14-15H2,(H,25,28)(H,26,27)/t22-/m1/s1
(5)Std. InChIKey: HIJAUEZBPWTKIV-JOCHJYFZSA-N