CAS No.25197-99-3,(2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	25197-99-3
Name:	(2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propanoic acid
Article Data:	15

Formula:	C₁₁H₁₁BrN₂O₂
Molecular Weight:	283.125
Synonyms:	Tryptophan,5-bromo-, L- (8CI);5-Bromo-L-tryptophan;L-5-Bromotryptophan;
Density:	1.704 g/cm³
Boiling Point:	495.8 °C at 760 mmHg
Flash Point:	253.7 °C
PSA:	79.11000
LogP:	2.58510

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Specification

The L-Tryptophan, 5-bromo- is an organic compound with the formula C₁₁H₁₁BrN₂O₂. The IUPAC name of this chemical is (2S)-2-Amino-3-(5-bromo-1H-indol-3-yl)propanoic acid. With the CAS registry number 25197-99-3, it is also named as 5-Bromo-tryptophan. Besides, its molecular weight is 283.1212.

Physical properties about L-Tryptophan, 5-bromo- are: (1)ACD/LogP: 1.90; (2)ACD/LogD (pH 5.5): -0.6; (3)ACD/LogD (pH 7.4): -0.61; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 4; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 34.47 Å²; (12)Index of Refraction: 1.718; (13)Molar Refractivity: 65.45 cm³; (14)Molar Volume: 166 cm³; (15)Polarizability: 25.95×10^-24 cm³; (16)Surface Tension: 73.2 dyne/cm; (17)Density: 1.704 g/cm³; (18)Flash Point: 253.7 °C; (19)Enthalpy of Vaporization: 80.41 kJ/mol; (20)Boiling Point: 495.8 °C at 760 mmHg; (21)Vapour Pressure: 1.19E-10 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C11H11BrN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
(2)InChIKey: KZDNJQUJBMDHJW-VIFPVBQEBS
(3)Std. InChI: InChI=1S/C11H11BrN2O2/c12-7-1-2-10-8(4-7)6(5-14-10)3-9(13)11(15)16/h1-2,4-5,9,14H,3,13H2,(H,15,16)/t9-/m0/s1
(4)Std. InChIKey: KZDNJQUJBMDHJW-VIFPVBQESA-N