Tryptophan, N-acetyl- (87-32-1)

The Ac-DL-Trp-OH, with its cas register number 87-32-1, has its IUPAC name of 2-acetamido-3-(1H-indol-3-yl)propanoic acid. This is a kind of white powder and is insoluble in water. And its product categories are various, including amino acids derivatives; indoles and derivatives; tryptophan [trp, w]; amino acids and derivatives; ac-amino acids; amino acids; amino acids (n-protected); biochemistry; indoles; tryptophans; n-acetyl-amino acid series; amino acids; amino acidsbiochemicals and reagents; core bioreagents; research essentials; amino acid derivatives; peptide synthesis; tryptophan.

The characteristics of this chemical are as below: (1)XLogP3: 1.1; (2)H-Bond Donor: 3; (3)H-Bond Acceptor: 3; (4)Rotatable Bond Count: 4; (5)Tautomer Count: 2; (6)Exact Mass: 246.100442; (7)MonoIsotopic Mass: 246.100442; (8)Topological Polar Surface Area: 82.2; (9)Heavy Atom Count: 18; (10)Formal Charge: 0; (11)Complexity: 332; (12)Defined Atom StereoCenter Count: 0; (13)Undefined Atom StereoCenter Count: 1; (14)Covalently-Bonded Unit: Count 1; (15)Melting point: 204-206 °C; (16)Index of Refraction: 1.645; (17)Molar Refractivity: 67.12 cm³; (18)Molar Volume: 185.1 cm³; (19)Surface Tension: 61.6 dyne/cm; (20)Density: 1.33 g/cm³; (21)Flash Point: 308.6 °C; (22)Enthalpy of Vaporization: 92.14 kJ/mol; (23)Boiling Point: 586.6 °C at 760 mmHg; (24)Vapour Pressure: 1.32E-14 mmHg at 25°C.

The following datas could be converted into the molecular structure:
(1)Canonical SMILES: CC(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)O
(2)InChI: InChI=1S/C13H14N2O3/c1-8(16)15-12(13(17)18)6-9-7-14-11-5-3-2-4-10(9)11/
h2-5,7,12,14H,6H2,1H3,(H,15,16)(H,17,18) 
(3)InChIKey: DZTHIGRZJZPRDV-UHFFFAOYSA-N