structural formula
| business number | 015b |
|---|---|
| molecular formula | c5h14in |
| molecular weight | 215.08 |
| label |
none |
numbering system
cas number:51-93-4
mdl number:mfcd00054229
einecs number:200-131-5
rtecs number:bq6045000
brn number:3911187
pubchem number:24845649
physical property data
none yet
toxicological data
1, acute toxicity: mouse abdominal cavity ld50: 40mg/kg
ecological data
none yet
molecular structure data
none yet
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: 1
5. number of tautomers: none
6. topological molecule polar surface area 0
7. number of heavy atoms: 7
8. surface charge: 0
9. complexity: 33.7
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: 2
properties and stability
none yet
storage method
none yet
synthesis method
none yet
purpose
none yet
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