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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