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| CAS No.: | 99295-79-1 |
|---|---|
| Name: | 5-Methyl-D-tryptophan |
| Article Data: | 2 |
| Molecular Structure: | |
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| Formula: | C12H14N2O2 |
| Molecular Weight: | 218.255 |
| Synonyms: | 5-Methyl-D-tryptophan;D-5-Methyltryptophan; |
| Density: | 1.313 g/cm3 |
| Boiling Point: | 455.1 °C at 760 mmHg |
| Flash Point: | 229.1 °C |
| PSA: | 79.11000 |
| LogP: | 2.13100 |
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Specification
This chemical is called 5-Methyl-D-tryptophan, and its systematic name is 5-methyl-D-tryptophan. With the molecular formula of C12H14N2O2, its molecular weight is 218.25. The CAS registry number of this chemical is 99295-79-1.
Other characteristics of the 5-Methyl-D-tryptophan can be summarised as followings: (1)ACD/LogP: 1.50; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 4; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 34.47 Å2; (7)Index of Refraction: 1.677; (8)Molar Refractivity: 62.59 cm3; (9)Molar Volume: 166.1 cm3; (10)Polarizability: 24.81×10-24cm3; (11)Surface Tension: 65.6 dyne/cm; (12)Density: 1.313 g/cm3; (13)Flash Point: 229.1 °C; (14)Enthalpy of Vaporization: 75.33 kJ/mol; (15)Boiling Point: 455.1 °C at 760 mmHg; (16)Vapour Pressure: 4.48E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)[C@H](N)Cc2c1cc(ccc1nc2)C
2.InChI: InChI=1/C12H14N2O2/c1-7-2-3-11-9(4-7)8(6-14-11)5-10(13)12(15)16/h2-4,6,10,14H,5,13H2,1H3,(H,15,16)/t10-/m1/s1
3.InChIKey: HUNCSWANZMJLPM-SNVBAGLBBY