structural formula
| business number | 019f |
|---|---|
| molecular formula | c17h20n2s•hcl |
| molecular weight | 320.88 |
| label |
10-(2-dimethylamino-1-propyl)phenothiazine hydrochloride, 10-[2-(dimethylamino)propyl]phenothiazine hydrochloride |
numbering system
cas number:58-33-3
mdl number:mfcd00012652
einecs number:200-375-2
rtecs number:so8225000
brn number:4166397
pubchem number:24277802
physical property data
1. reference value for hydrophobic parameter calculation (xlogp):
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 2
4. number of rotatable chemical bonds: 3
5. number of tautomers:
6. topological molecular polar surface area (tpsa):6.5
7. number of heavy atoms: 21
8. surface charge: 0
9. complexity: 298
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. the number of uncertain atomic stereocenters: 1
13. determine the number of stereocenters of chemical bonds: 0
14. uncertain number of chemical bond stereocenters: 0
15. number of covalent bond units: 2
toxicological data
none
ecological data
none
molecular structure data
5. molecular property data:
1. molar refractive index: 87.81
2. molar volume (m3/mol）：251.3
3. isotonic specific volume (90.2k12. no determine the number of atomic stereocenters: 1
13. determine the number of stereocenters of chemical bonds: 0
14. uncertain number of chemical bond stereocenters: 0
15. number of covalent bond units: 2
toxicological data
none
ecological data
none
molecular structure data
5. molecular property data:
1. molar refractive index: 87.81
2. molar volume (m3/mol）：251.3
3. isotonic specific volume (90.2k):647.7
4. surface tension (dyne/cm):44.1
5. polarizability（10-24cm3): 34.81
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 3
5. number of tautomers: none
6. topological molecule polar surface area 31.8
7. number of heavy atoms: 21
8. surface charge: 0
9. complexity: 298
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 1
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 2
properties and stability
none
storage method
none
synthesis method
none
purpose
none
ial; mso-bidi-font-family: arial”>):647.7
4. surface tension (dyne/cm):44.1
5. polarizability（10-24cm3): 34.81
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 1
3. number of hydrogen bond acceptors: 3
4. number of rotatable chemical bonds: 3
5. number of tautomers: none
6. topological molecule polar surface area 31.8
7. number of heavy atoms: 21
8. surface charge: 0
9. complexity: 298
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 1
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 2
properties and stability
none
storage method
none
synthesis method
none
purpose
none
