Tryptophan, 4-fluoro- supplier

Name
4-FLUORO-DL-TRYPTOPHAN
EINECS
CAS No. 25631-05-4
Density 1.442 g/cm³
Solubility
Melting Point 241 °C
Formula C₁₁H₁₁FN₂O₂
Boiling Point 450.7 °C at 760 mmHg
Molecular Weight 222.219
Flash Point 226.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols Xi
Synonyms DL-Tryptophan,4-fluoro-;Tryptophan, 4-fluoro-, DL- (8CI);4-Fluoro-DL-tryptophan;4-Fluorotryptophan;DL-4-Fluorotryptophan;NSC 529108;
PSA 79.11000
LogP 1.96170

Tryptophan, 4-fluoro- Specification

The Tryptophan, 4-fluoro-, with the CAS registry number 25631-05-4, is also known as 4-Fluoro-dl-tryptophan. It belongs to the product categories of Indoles and derivatives; A - H; Amino Acids; Modified Amino Acids. This chemical's molecular formula is C₁₁H₁₁FN₂O₂ and molecular weight is 222.22. What's more, its IUPAC name is 2-Amino-3-(4-fluoro-1H-indol-3-yl)propanoic acid.

Physical properties about Tryptophan, 4-fluoro are: (1)ACD/LogP: 1.09; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -1.41; (4)ACD/LogD (pH 7.4): -1.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 34.47 Å²; (13)Index of Refraction: 1.673; (14)Molar Refractivity: 57.76 cm³; (15)Molar Volume: 154 cm³; (16)Polarizability: 22.89×10^-24cm³; (17)Surface Tension: 67.9 dyne/cm; (18)Density: 1.442 g/cm³; (19)Flash Point: 226.4 °C; (20)Enthalpy of Vaporization: 74.78 kJ/mol; (21)Boiling Point: 450.7 °C at 760 mmHg; (22)Vapour Pressure: 6.54E-09 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)C(N)Cc2c1c(F)cccc1nc2
(2) InChI: InChI=1/C11H11FN2O2/c12-7-2-1-3-9-10(7)6(5-14-9)4-8(13)11(15)16/h1-3,5,8,14H,4,13H2,(H,15,16)
(3) InChIKey: DEBQMEYEKKWIKC-UHFFFAOYAD

Product Name

4-FLUORO-DL-TRYPTOPHAN

Tryptophan, 4-fluoro- Specification

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