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Fmoc-3-cyclohexyl-L-alanine

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Name

Fmoc-3-cyclohexyl-L-alanine

EINECS N/A
CAS No. 135673-97-1 Density 1.209 g/cm3
PSA 75.63000 LogP 5.33960
Solubility N/A Melting Point 125-130°C
Formula C24H27NO4 Boiling Point 610.5 °C at 760 mmHg
Molecular Weight 393.483 Flash Point 323 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 135673-97-1 (FMOC-CHA-OH) Hazard Symbols N/A
Synonyms

Cyclohexanepropanoicacid, a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(S)-;(S)-2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-3-cyclohexylpropanoicacid;(S)-3-Cyclohexyl-2-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]propionicacid;(S)-N-Fmoc-cyclohexylalanine;Fmoc-Cha-OH;

Article Data 3

Fmoc-3-cyclohexyl-L-alanine Specification

The IUPAC name of Fmoc-3-cyclohexyl-L-alanine is (2S)-3-cyclohexyl-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid. With the CAS registry number 135673-97-1, it is also named as Cyclohexanepropanoicacid, a-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-,(S)-. The product's categories are Amino Acids; Peptide. In addition, its molecular formula is C24H27NO4 and its molecular weight is 393.47. This chemical should be stored at 2-8 °C. Besides, when you are using this chemical, please do not breathe dust. And yu should avoid contact with skin and eyes.

The other characteristics of Fmoc-3-cyclohexyl-L-alanine can be summarized as: (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: 55.84 Å2; (13)Index of Refraction: 1.589; (14)Molar Refractivity: 109.59 cm3; (15)Molar Volume: 325.2 cm3; (16)Polarizability: 43.44×10-24cm3; (17)Surface Tension: 52.3 dyne/cm; (18)Density: 1.209 g/cm3; (19)Flash Point: 323 °C; (20)Enthalpy of Vaporization: 95.32 kJ/mol; (21)Boiling Point: 610.5 °C at 760 mmHg; (22)Vapour Pressure: 9.3E-16 mmHg at 25 °C.

People can use the following data to convert to the molecule 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-/m0/s1
(3)InChIKey:HIJAUEZBPWTKIV-QFIPXVFZBH
(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-/m0/s1
(5)Std. InChIKey:HIJAUEZBPWTKIV-QFIPXVFZSA-N

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