Compound Introduction Report Editor Basic Information
Suav lub npe: 西布曲明
Suav Alias: N-(1-(1-(4-chlorophenyl)cyclobutyl)-3-methylbutyl)-N,N-dimethylamine
Lub npe Askiv: Sibutramine
CAS Nr .: 106650-56-0
Cov mis mos molecular: C17H26ClN
Molecular Luj: 279.85
PIB: 279.17500
PSA: 3.24 000
PIB: 4.73800
Physicochemical Properties
Cov tsos mob: Dawb crystalline hmoov
Melting Point: 191-192 degree
Molecular Structure Data
1. Molar Refractivity: 83.762
2. Molar Volume (cm³/mol): 271.33
3. Isochoric Molar Volume (90.2K): 670.54
4. Nto Ntog (dyne/cm): 373.35
5. Polarizability (10⁻²⁴ cm³): 33.26
6. Monoisotopic Mass: 279.175378 Da
7. Nominal Mass: 279 Da
8. Nruab Nrab Mass: 279.848 Da
Computational Chemistry Data
1. Hydrophobic Parameter Calculation Reference (XlogP): 5.4
2. Tus naj npawb ntawm Hydrogen Bond Donors: 0
3. Tus naj npawb ntawm Hydrogen Bond Txais: 1
4. Number of Rotatable Bonds: 5
5. Tus naj npawb ntawm Tautomers: 0
6. Topological Polar Surface Area: 3.2
7. Tus naj npawb ntawm Hnyav Atoms: 19
8. Nto nqi: 0
9. Kev nyuaj siab: 275
10. Tus lej ntawm Isotope Atoms: 0
11. Number of Defined Atom Stereocenters: 0
12. Number of Undefined Atom Stereocenters: 1
13. Number of Defined Bond Stereocenters: 0
14. Number of Undefined Bond Stereocenters: 0
15. Number of Covalent Units: 1 [1]
