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N-Acetyltryptophanamide

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Name

N-Acetyltryptophanamide

EINECS 219-189-8
CAS No. 2382-79-8 Density 1.282 g/cm3
PSA 87.98000 LogP 1.79160
Solubility N/A Melting Point 194-196 °C(lit.)
Formula C13H15N3O2 Boiling Point 636.4 °C at 760 mmHg
Molecular Weight 245.281 Flash Point 338.7 °C
Transport Information N/A Appearance white powder
Safety 24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 2382-79-8 (AC-TRP-NH2) Hazard Symbols N/A
Synonyms

1H-Indole-3-propanamide,a-(acetylamino)-, (S)-;Indole-3-propionamide, a-acetamido-, L- (8CI);(+)-2-Acetamido-3-(indol-3-yl)propionamide;(aS)-N-Acetyl-tryptophan amide;Acetyltryptophanamide;N-Acetyl-L-tryptophanamide;N-L-Acetyltryptophanamide;NAWA;

Article Data 4

N-Acetyltryptophanamide Specification

The N-Acetyltryptophanamide, with the CAS registry number 2382-79-8, is also known as 1H-indole-3-propanamide, α-(acetylamino)-, (alphaS)-. It belongs to the product categories of Amino Acid Derivatives; Amino Acids; A - H; Amino Acids; Modified Amino Acids. Its EINECS number is 219-189-8. This chemical's molecular formula is C13H15N3O2 and molecular weight is 245.28. Its systematic name is called Nalpha-acetyl-L-tryptophanamide. This chemical is white powder. When you are using this chemical, please be cautious about it. You should avoid contacting it with skin and eyes.

Physical properties of N-Acetyltryptophanamide: (1)ACD/LogP: 0.26; (2)ACD/LogD (pH 5.5): 0.26; (3)ACD/LogD (pH 7.4): 0.26; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 33.14; (7)ACD/KOC (pH 7.4): 33.14; (8)#H bond acceptors: 5; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.642; (12)Molar Refractivity: 69.12 cm3; (13)Molar Volume: 191.3 cm3; (14)Surface Tension: 59.4 dyne/cm; (15)Density: 1.282 g/cm3; (16)Flash Point: 338.7 °C; (17)Enthalpy of Vaporization: 94.02 kJ/mol; (18)Boiling Point: 636.4 °C at 760 mmHg; (19)Vapour Pressure: 4.28E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N)[C@@H](NC(=O)C)Cc2c1ccccc1nc2
(2)InChI: InChI=1/C13H15N3O2/c1-8(17)16-12(13(14)18)6-9-7-15-11-5-3-2-4-10(9)11/h2-5,7,12,15H,6H2,1H3,(H2,14,18)(H,16,17)/t12-/m0/s1
(3)InChIKey: HNGIZKAMDMBRKJ-LBPRGKRZBD

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