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D-Tryptophan methyl ester hydrochloride chemistry Methyl (2R)-2-amino-3-(1H-indol-3-yl)propanoate hydrochloride
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The boiling point is 390.6ºC at 760mmHg
Melting point 213-216ºC
Molecular formula C12H15ClN2O2
Molecular weight 254.713
Flash point 190ºC
Accurate quality 254.082199
PSA 68.11000
LogP 2.71300
Appearance properties white to off-white crystalline powder
Vapor pressure 2.62E-06mmHg at 25°C
Refractive index -19 ° (C=5, MeOH)
Storage conditions 2-8°C
Water soluble: methanol
Molecular structure
V. Molecular Property Data:
1. Molar refractive index: 62.61
2, molar volume (m3/mol) : 175.2
3. Isotropic volume (90.2K) : 478.0
4. Surface tension (dyne/cm) : 55.3
5. Polarization (10-24cm3) : 24.82
Computational chemistry
1. Reference value for calculating hydrophobic parameters (XlogP) : None
2. Number of hydrogen bond donors :3
3. Number of hydrogen bond receptors :3
4. Number of rotatable bonds :4
5. Number of tautomers: None
6. Topological molecular polar surface area 68.1
7. Number of heavy atoms :17
8. Surface charge :0
9. Complexity :257
10. Number of isotope atoms :0
11. Determine the number of atomic constitutive centers :1
12. Number of indeterminate atomic orthotropic centers :0
13. Determine the number of chemical bond constitutive centers :0
14. Number of uncertain bond constitutive centers :0
15. Number of covalent bond units :2
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