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| CAS No.: | 199006-54-7 |
|---|---|
| Name: | FMOC-L-4-Methylphe |
| Molecular Structure: | |
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| Formula: | C25H23NO4 |
| Molecular Weight: | 401.462 |
| Synonyms: | 936: PN:WO2006135786 PAGE: 67 claimed sequence; |
| Density: | 1.255g/cm3 |
| Melting Point: | 168°C |
| Boiling Point: | 629.1 °C at 760 mmHg |
| Flash Point: | 334.3 °C |
| Hazard Symbols: |
 Xi
|
| PSA: | 75.63000 |
| LogP: | 4.92030 |
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Specification
The FMOC-L-4-Methylphe, with CAS registry number 199006-54-7, belongs to the following product categories: (1)Amino Acids; (2)Phenylalanine analogs and other aromatic alpha amino acids; (3)A-amino. It has the systematic name of N-[(9H-fluoren-9-ylmethoxy)carbonyl]-4-methyl-L-phenylalanine. This chemical should be stored at the temperaure of 2-8°C. And the chemical formula of this chemical is C25H23NO4.
Physical properties of FMOC-L-4-Methylphe: (1)ACD/LogP: 5.87; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.75; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 130.96; (6)ACD/BCF (pH 7.4): 4.63; (7)ACD/KOC (pH 5.5): 286.51; (8)ACD/KOC (pH 7.4): 10.13; (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: 1.626; (14)Molar Refractivity: 113.22 cm3; (15)Molar Volume: 319.7 cm3; (16)Polarizability: 44.88×10-24cm3; (17)Surface Tension: 55.3 dyne/cm; (18)Density: 1.255 g/cm3; (19)Flash Point: 334.3 °C; (20)Enthalpy of Vaporization: 97.83 kJ/mol; (21)Boiling Point: 629.1 °C at 760 mmHg; (22)Vapour Pressure: 1.08E-16 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](NC(=O)OCC3c1ccccc1c2c3cccc2)Cc4ccc(cc4)C
(2)InChI: InChI=1/C25H23NO4/c1-16-10-12-17(13-11-16)14-23(24(27)28)26-25(29)30-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28)/t23-/m0/s1
(3)InChIKey: UXLHLZHGQPDMJQ-QHCPKHFHBA
(4)Std. InChI: InChI=1S/C25H23NO4/c1-16-10-12-17(13-11-16)14-23(24(27)28)26-25(29)30-15-22-20-8-4-2-6-18(20)19-7-3-5-9-21(19)22/h2-13,22-23H,14-15H2,1H3,(H,26,29)(H,27,28)/t23-/m0/s1
(5)Std. InChIKey: UXLHLZHGQPDMJQ-QHCPKHFHSA-N