L-ABRINE

The L-Tryptophan, 1-methyl-, with CAS registry number 21339-55-9, belongs to the following product categories: (1)Indoles and derivatives; (2)Amino Acid Derivatives; (3)Peptide Synthesis; (4)Tryptophan. It has the systematic name of 1-methyl-L-tryptophan. This chemical should be stored at the temperature of 2-8°C. And the chemical formula of this chemical is C₁₂H₁₄N₂O₂. What's more, its EINECS is 208-388-5.

Physical properties of L-Tryptophan, 1-methyl-: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 3; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 34.47 Å²; (11)Index of Refraction: 1.625; (12)Molar Refractivity: 60.13 cm³; (13)Molar Volume: 170 cm³; (14)Polarizability: 23.84×10^-24cm³; (15)Surface Tension: 50.4 dyne/cm; (16)Density: 1.28 g/cm3; (17)Flash Point: 213.4 °C; (18)Enthalpy of Vaporization: 72.16 kJ/mol; (19)Boiling Point: 429.3 °C at 760 mmHg; (20)Vapour Pressure: 3.92E-08 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The L-Tryptophan, 1-methyl- is harmful by inhalation, in contact with skin and if swallowed.  When use it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)[C@@H](N)Cc2c1ccccc1n(c2)C
(2)InChI: InChI=1/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
(3)InChIKey: ZADWXFSZEAPBJS-JTQLQIEIBD
(4)Std. InChI: InChI=1S/C12H14N2O2/c1-14-7-8(6-10(13)12(15)16)9-4-2-3-5-11(9)14/h2-5,7,10H,6,13H2,1H3,(H,15,16)/t10-/m0/s1
(5)Std. InChIKey: ZADWXFSZEAPBJS-JTQLQIEISA-N