1. Hexanedinitrile
1. Hexanedinitrile
2. 1,4-dicyanobutane
3. 111-69-3
4. Adipyldinitrile
5. Adipodinitrile
6. Adipic Acid Dinitrile
7. Tetramethylene Dicyanide
8. Nitrile Adipico
9. Tetramethylene Cyanide
10. Adipic Acid Nitrile
11. Hexanedioic Acid, Dinitrile
12. Nsc 7617
13. Syt33b891i
14. Nsc-7617
15. Hexanedinitrile, Hydrogenated, High-boiling Fraction
16. Mfcd00001975
17. Dsstox_cid_1936
18. Dsstox_rid_76412
19. Adipinsaeuredinitril
20. Dsstox_gsid_21936
21. 68411-90-5
22. Nitrile Adipico [italian]
23. Adipinsaeuredinitril [german]
24. Cas-111-69-3
25. Ccris 4570
26. Hsdb 627
27. Einecs 203-896-3
28. Hexanedioic Acid Dinitrile
29. Un2205
30. Brn 1740005
31. Unii-syt33b891i
32. Adipic Dinitrile
33. Ai3-11080
34. Einecs 270-153-8
35. 4-cyanobutyl Cyanide
36. Adiponitrile, 99%
37. Hexane-1,6-dinitrile
38. Reaction Product (adiponitrile-hydrogen)
39. Adiponitrile [mi]
40. Butanedicarbonitrile
41. Wln: Nc4cn
42. Adiponitrile [hsdb]
43. Ec 203-896-3
44. Schembl59340
45. 4-02-00-01975 (beilstein Handbook Reference)
46. Mls002415709
47. 1,4-butanedicarbonitrile
48. Chembl2132938
49. Dtxsid3021936
50. Nsc7617
51. Hms2268i10
52. Zinc1683668
53. Tox21_202183
54. Tox21_300026
55. Adiponitrile [un2205] [poison]
56. Adiponitrile, Reaction Product With Hydrogen, High-boiling Fraction
57. Akos009031175
58. Un 2205
59. Ncgc00090882-01
60. Ncgc00090882-02
61. Ncgc00090882-03
62. Ncgc00254080-01
63. Ncgc00259732-01
64. Ms-20979
65. Smr001252282
66. A0168
67. Ft-0606865
68. Q84062
69. J-503989
70. Adiponitrile, >99%, Acid <200 Ppm, H2o <100 Ppm
71. F1908-0128
| Molecular Weight | 108.14 g/mol |
|---|---|
| Molecular Formula | C6H8N2 |
| XLogP3 | -0.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 108.068748264 g/mol |
| Monoisotopic Mass | 108.068748264 g/mol |
| Topological Polar Surface Area | 47.6 Ų |
| Heavy Atom Count | 8 |
| Formal Charge | 0 |
| Complexity | 113 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently Bonded Unit Count | 1 |
Seventy nine percent of dose /about 50 mg/kg sc admin to guinea pigs/ was eliminated as thiocyanate in urine. ... Skin penetration was suggested by incr in thiocyanate in urine ... after application to depilated skin. Greater quantities were absorbed when skin was abraded.
Clayton, G.D., F.E. Clayton (eds.) Patty's Industrial Hygiene and Toxicology. Volumes 2A, 2B, 2C, 2D, 2E, 2F: Toxicology. 4th ed. New York, NY: John Wiley & Sons Inc., 1993-1994., p. 3152
The concentrations of thiocyanate in the blood and urine of guinea pigs injected with adiponitrile were proportional to the doses administered. Following administration of adiponitrile, 79% was eliminated as thiocyanate in the urine of guinea pigs. Of the cyanide antidotes, thiosulfate was most effective. However, on the basis of the ratio between administered adiponitrile dose and quantity of cyanide detected, /it was/ concluded that a greater part of the dose was metabolized to cyanide.
Snyder, R. (ed.). Ethel Browning's Toxicity and Metabolism of Industrial Solvents. 2nd ed. Volume II: Nitrogen and Phosphorus Solvents. Amsterdam-New York-Oxford: Elsevier, 1990., p. 325
... In guinea pigs ... it is hydrolyzed to hydrogen cyanide in the body giving rise to thiocyanate in urine.
Clayton, G.D., F.E. Clayton (eds.) Patty's Industrial Hygiene and Toxicology. Volumes 2A, 2B, 2C, 2D, 2E, 2F: Toxicology. 4th ed. New York, NY: John Wiley & Sons Inc., 1993-1994., p. 3152
Male ddY mice were pretreated with carbon tetrachloride or olive oil and administered adiponitrile orally in concentrations sufficient to determine its median lethal dose (LD50). Brain cyanide concentrations were determined. The distribution coefficient (P) for partitioning adiponitrile between water and n-octanol was measured. Mice were pretreated as before and dosed with adiponitrile at 3 to 5 times its LD50. Mean survival times were determined. Hepatic microsomes were obtained from mice pretreated with carbon tetrachloride or olive oil and incubated with adiponitrile. The rate of release of free cyanide was investigated. The oral LD50 for animals pretreated with olive oil was 1.592 mmol/kg. The LD50 for the carbon tetrachloride treated mice was 2.652 mmol/kg. Brain cyanide concentrations in olive oil pretreated mice ranged from 0.35 to 0.74 ug/g. Carbon tetrachloride pretreatment lengthened survival and reduced brain cyanide concentrations. Dinitriles are metabolized to cyanides in vivo and in vitro.
Tanii H, Hashimoto K; Archives of Toxicol 57 (2): 88-93 (1985)
