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L-Tryptophan, N-benzoyl-

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Name

L-Tryptophan, N-benzoyl-

EINECS
CAS No. 4302-66-3 Density 1.335 g/cm3
Solubility Melting Point
Formula C18H16N2O3 Boiling Point 647.8 °C at 760 mmHg
Molecular Weight 308.33 Flash Point 345.6 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 4302-66-3 (L-Tryptophan, N-benzoyl-) Hazard Symbols
Synonyms

Bzo-Trp-OH;(S)-2-Benzamido-3-(1H-indol-3-yl)propanoic acid;N-alpha-Benzoyl-L-tryptophane;

 

L-Tryptophan, N-benzoyl- Specification

The L-Tryptophan, N-benzoyl-, with the CAS registry number 4302-66-3, is also known as N-alpha-Benzoyl-L-tryptophane. It belongs to the product category of Amino Acids. This chemical's molecular formula is C18H16N2O3 and molecular weight is 308.33. What's more, its systematic name is N-benzoyltryptophan.

Physical properties of L-Tryptophan, N-benzoyl- are: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.44; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 6.08; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 3; (10)#Freely Rotating Bonds: 5; (11)Polar Surface Area: 51.54 Å2; (12)Index of Refraction: 1.681; (13)Molar Refractivity: 87.42 cm3; (14)Molar Volume: 230.9 cm3; (15)Polarizability: 34.65×10-24cm3; (16)Surface Tension: 64.6 dyne/cm; (17)Density: 1.335 g/cm3; (18)Flash Point: 345.6 °C; (19)Enthalpy of Vaporization: 100.38 kJ/mol; (20)Boiling Point: 647.8 °C at 760 mmHg; (21)Vapour Pressure: 1.15E-17 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C(C=C1)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)O
(2)InChI: InChI=1S/C18H16N2O3/c21-17(12-6-2-1-3-7-12)20-16(18(22)23)10-13-11-19-15-9-5-4-8-14(13)15/h1-9,11,16,19H,10H2,(H,20,21)(H,22,23)
(3)InChIKey: WPBCXLCJWLNDPV-UHFFFAOYSA-N

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