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50517-10-7

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Basic Information
CAS No.: 50517-10-7
Name: N-Acetyl 6-Chlorotryptophan
Article Data: 5
Molecular Structure:
Molecular Structure of 50517-10-7 (N-Acetyl 6-Chlorotryptophan)
Formula: C13H13ClN2O3
Molecular Weight: 280.71
Synonyms: 2-(Acetylamino)-3-(6-chloro-1H-indol-3-yl)propanoic acid;
Density: 1.424 g/cm3
Melting Point: 170-173°C
Boiling Point: 610.6 °C at 760 mmHg
Flash Point: 323.1 °C
Appearance: White solid
PSA: 82.19000
LogP: 2.34400
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Specification

The N-Acetyl 6-Chlorotryptophan with CAS registry number of 50517-10-7 is also known as 2-(Acetylamino)-3-(6-chloro-1H-indol-3-yl)propanoic acid. The systematic name is N-Acetyl 6-Chlorotryptophan. It belongs to product categories of Chemical Amines; Amines; Indole Derivatives. In addition, the formula is C13H13ClN2O3 and the molecular weight is 280.71. What's more, this chemical is a white solid.

Physical properties about N-Acetyl 6-Chlorotryptophan are: (1)ACD/LogP: 1.30; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 3; (8)#Freely Rotating Bonds: 4; (9)Index of Refraction: 1.651; (10)Molar Refractivity: 72.01 cm3; (11)Molar Volume: 197 cm3; (12)Surface Tension: 62.7 dyne/cm; (13)Density: 1.424 g/cm3; (14)Flash Point: 323.1 °C; (15)Enthalpy of Vaporization: 95.35 kJ/mol; (16)Boiling Point: 610.6 °C at 760 mmHg; (17)Vapour Pressure: 9.13E-16 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
1. SMILES: OC(=O)C(NC(C)=O)Cc2cnc1cc(Cl)ccc12
2. InChI: InChI=1/C13H13ClN2O3/c1-7(17)16-12(13(18)19)4-8-6-15-11-5-9(14)2-3-10(8)11/h2-3,5-6,12,15H,4H2,1H3,(H,16,17)(H,18,19)
3. InChIKey: LCLMWFCLWYOLIO-UHFFFAOYAA
4. Std. InChI: InChI=1S/C13H13ClN2O3/c1-7(17)16-12(13(18)19)4-8-6-15-11-5-9(14)2-3-10(8)11/h2-3,5-6,12,15H,4H2,1H3,(H,16,17)(H,18,19)
5. Std. InChIKey: LCLMWFCLWYOLIO-UHFFFAOYSA-N