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Fmoc-N-methyl-L-leucine

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Name

Fmoc-N-methyl-L-leucine

EINECS N/A
CAS No. 103478-62-2 Density 1.194 g/cm3
PSA 66.84000 LogP 4.36660
Solubility Slightly soluble in water. Melting Point 113-116 °C
Formula C22H25NO4 Boiling Point 537.3 °C at 760 mmHg
Molecular Weight 367.445 Flash Point 278.7 °C
Transport Information N/A Appearance White powder
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 103478-62-2 (Fmoc-N-methyl-L-leucine) Hazard Symbols N/A
Synonyms

Fmoc-MeLeu-OH;NPC 15273;N-(9-Fluorenylmethyloxycarbonyl)-N-methyl-L-leucine;

Article Data 13

Fmoc-N-methyl-L-leucine Specification

The IUPAC name of Fmoc-N-methyl-L-leucine is (2S)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-4-methylpentanoic acid. With the CAS registry number 103478-62-2, it is also named as N-(9-Fluorenylmethyloxycarbonyl)-N-methyl-L-leucine. The product's categories are Amino Acids; Leucine [Leu, L]; N-Methyl Amino Acids; Fmoc-Amino Acid Series. In addition, its molecular formula is C22H25NO4 and its molecular weight is 367.44. This chemical is white powder which should be stored in sealed, cool and dry place at 2-8 °C. Moreover, when you are using this chemical, please do not breathe dust. And you should avoid contact with skin and eyes.

The other characteristics of Fmoc-N-methyl-L-leucine can be summarized as: (1)ACD/LogP: 5.44; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.41; (4)ACD/LogD (pH 7.4): 1.91; (5)ACD/BCF (pH 5.5): 75.42; (6)ACD/BCF (pH 7.4): 2.37; (7)ACD/KOC (pH 5.5): 203.66; (8)ACD/KOC (pH 7.4): 6.41; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 55.84 Å2; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 102.53 cm3; (15)Molar Volume: 307.5 cm3; (16)Polarizability: 40.64×10-24cm3; (17)Surface Tension: 49.6 dyne/cm; (18)Density: 1.194 g/cm3; (19)Flash Point: 278.7 °C; (20)Melting point: 113-116 °C; (21)alpha: -20.5 °(c=1% in DMF); (22)Enthalpy of Vaporization: 85.69 kJ/mol; (23)Boiling Point: 537.3 °C at 760 mmHg; (24)Vapour Pressure: 2.25E-12 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES: O=C(O)[C@@H](N(C(=O)OCC3c1ccccc1c2c3cccc2)C)CC(C)C
(2)InChI: InChI=1/C22H25NO4/c1-14(2)12-20(21(24)25)23(3)22(26)27-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19-20H,12-13H2,1-3H3,(H,24,25)/t20-/m0/s1
(3)InChIKey: BUJQSIPFDWLNDC-FQEVSTJZBZ
(4)Std. InChI: InChI=1S/C22H25NO4/c1-14(2)12-20(21(24)25)23(3)22(26)27-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h4-11,14,19-20H,12-13H2,1-3H3,(H,24,25)/t20-/m0/s1
(5)Std. InChIKey: BUJQSIPFDWLNDC-FQEVSTJZSA-N

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