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70050-43-0

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Basic Information
CAS No.: 70050-43-0
Name: alpha-fluoromethylhistidine
Molecular Structure:
Molecular Structure of 70050-43-0 (alpha-fluoromethylhistidine)
Formula: C7H10 F N3 O2
Molecular Weight: 187.174
Synonyms: a-Fluoromethylhistidine
Density: 1.433g/cm3
Boiling Point: 484°Cat760mmHg
Flash Point: 246.5°C
Safety: Experimental reproductive effects. When heated to decomposition it emits toxic vapors of NOx and F−.
PSA: 92.00000
LogP: 0.40410
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    alpha-fluoromethylhistidine

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    alpha-fluoromethylhistidine

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Specification

alpha-Fluoromethylhistidine, with the CAS NO.70050-43-0, the synonyms of it are alpha-fluoromethylhistidine; (S)-α-Amino-α-fluoromethyl-3H-imidazole-4-propanoic acid; (S)-α-Fluoromethylhistidine; L-641575; α-(Fluoromethyl)-L-histidine; α-Fluoromethylhistidine; α-Fluoromethyl-L-histidine. Alpha-fluoromethylhistidine is used in the treatment of idiopathic cold.

Physical properties about alpha-Fluoromethylhistidine are: (1)ACD/LogP: -0.683; (2)ACD/LogD (pH 5.5): -3.76; (3)ACD/LogD (pH 7.4): -3.24; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.00; (7)ACD/KOC (pH 7.4): 1.00; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.57; (12)Molar Refractivity: 42.822 cm3; (13)Molar Volume: 130.609 cm3; (14)Polarizability: 16.976 10-24cm3; (15)Surface Tension: 66.2480010986328 dyne/cm; (16)Density: 1.433 g/cm3; (17)Flash Point: 246.499 °C; (18)Enthalpy of Vaporization: 78.912 kJ/mol; (19)Boiling Point: 483.975 °C at 760 mmHg

You can still convert the following datas into molecular structure:
(1)InChI=1S/C7H10FN3O2/c8-3-7(9,6(12)13)1-5-2-10-4-11-5/h2,4H,1,3,9H2,(H,10,11)(H,12,13);
(2)InChIKey=AJFGLTPLWPTALJ-UHFFFAOYSA-N;
(3)Smilesn1c[nH]c(c1)C[C@@](CF)(C(O)=O)N;