structural formula
| business number | 013r |
|---|---|
| molecular formula | c20h23n |
| molecular weight | 277.14 |
| label |
3-(10,11-dihydro-5h-dibenzo[a,d]cycloheptene-5-ylidene)-n,n-dimethyl-1-propylamine, amitriptyline hydrochloride, amitriptyline, 3-(10,11-dihydro-5h-dibenzo[a,d]cyclohepten-5-ylidene)-n,n-dimethyl-1-propanamine |
numbering system
cas number:50-48-6
mdl number:none
einecs number:200-041-6
rtecs number:none
brn number:none
pubchem id:none
physical property data
1. properties: uncertain
2. density (g/ml, 25/4℃): uncertain
3. relative vapor density (g/ml, air =1): uncertain
4. melting point (ºc): 196-197°c
5. boiling point (ºc, normal pressure): uncertain
6. boiling point (ºc, 5.2 kpa): uncertain
7. refractive index: uncertain
8. flash point (ºc): uncertain
9. specific rotation (º): uncertain
10. autoignition point or ignition temperature (ºc): uncertain
11. vapor pressure (kpa, 25 ºc) : uncertain
12. saturated vapor pressure (kpa, 60 ºc): uncertain
13. heat of combustion (kj/mol): uncertain
14. critical temperature (ºc): uncertain
15. critical pressure (kpa): uncertain
16. log value of oil-water (octanol/water) partition coefficient: uncertain ok
17. explosion upper limit (%, v/v): uncertain
18. explosion lower limit (%, v/v): uncertain
19. solubility: water solubility 9.7 mg/ml
toxicological data
none
ecological data
none
molecular structure data
1. molar refractive index: 88.7
2. molar volume (cm3/mol): 262.7
3. isotonic specific volume (90.2k ): 684.4
4. surface tension (dyne/cm): 47.3
5. polarizability (10-24cm3): 35.16
compute chemical data
1. reference value for hydrophobic parameter calculation (xlogp): none
2. number of hydrogen bond donors: 0
3. number of hydrogen bond acceptors: 1
4. number of rotatable chemical bonds: 3
5. number of tautomers: none
6. topological molecule polar surface area 3.2
7. number of heavy atoms: 21
8. surface charge: 0
9. complexity: 331
10. number of isotope atoms: 0
11. determine the atomic stereocenterquantity: 0
12. uncertain number of atomic stereocenters: 0
13. determined number of chemical bond stereocenters: 0
14. no determine the number of stereocenters of chemical bonds: 0
15. the number of covalent bond units: 1
properties and stability
none
storage method
none
synthesis method
none
purpose
none
