structural formula
| business number | 01h8 |
|---|---|
| molecular formula | c19h21n |
| molecular weight | 263.38 |
| label |
10,11-dihydro-5-(3-methylaminopropylidene)-5h-dibenzo[a,d][1,4]cycloheptene, 3-(10,11-dihydro-5h-dibenzo[a,d]cyclohepten-5-ylidene)-n-methyl-1-propanamine |
numbering system
cas number:72-69-5
mdl number:none
einecs number:200-788-8
rtecs number:none
brn number:none
pubchem id:none
physical property data
toxicological data
acute toxicity: rat oral ld50: 502 mg/kg; rat intravenous ld50 : 22 mg/kg;
mouse oral administration ld50: 370 mg/kg; mouse abdominal cavity ld50: 70 mg/kg; mouse veinld50：17 mg/kg;
ecological data
none
molecular structure data
1. molar refractive index:86.76
2. molar volume (m3/mol）：242.8
3. isotonic specific volume (90.2k):636.9
4. surface tension (dyne/cm):47.3
5. polarizability（10-24cm3):34.39
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: 1
4. number of rotatable chemical bonds: 3
5. number of tautomers: none
6. topological molecule polar surface area 12
7. number of heavy atoms: 20
8. surface charge: 0
9. complexity: 307
10. number of isotope atoms: 0
11. determine the number of atomic stereocenters: 0
12. uncertain number of atomic stereocenters: 0
13. determine the number of chemical bond stereocenters: 0
14. number of uncertain chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none
storage method
none
synthesis method
none
purpose
none
2. the number of uncertain atomic stereocenters: 0
13. the number of determined chemical bond stereocenters: 0
14. the uncertain number of chemical bond stereocenters: 0
15. number of covalent bond units: 1
properties and stability
none
storage method
none
synthesis method
none
purpose
none
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