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 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
extended-reading:https://www.bdmaee.net/polycat-15-catalyst-cas68479-98-1-evonik-germany/extended-reading:https://www.newtopchem.com/archives/39723extended-reading:https://www.newtopchem.com/archives/category/products/page/84extended-reading:https://www.newtopchem.com/archives/40275extended-reading:https://www.bdmaee.net/fascat2001-catalyst/extended-reading:https://www.newtopchem.com/archives/45137extended-reading:https://www.bdmaee.net/wp-content/uploads/2022/08/13.jpgextended-reading:https://www.cyclohexylamine.net/cas-3164-85-0-k-15-k-15-catalyst/extended-reading:https://www.newtopchem.com/archives/43957extended-reading:https://www.bdmaee.net/nt-cat-a-305-catalyst-cas1739-84-0-newtopchem/