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
• physical property data
• toxicological data
• ecological data
• molecular structure data
• computing chemical data
• more
  • properties and stability
  • storage method
  • synthesis method
  • purpose

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 optical 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

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