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
微信扫一扫打赏
