| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2004 | 11 | No |
Popular Name: tert-Octyl isocyanate tert-Octyl isocyanate
Find On: PubMed — Wikipedia — Google
CAS Number: 1611-57-0
1,1,3,3-Tetramethylbutyl isocyanate
1,1,3,3-Tetramethylbutyl isocyanate, 98%
2,4,4-Trimethyl-2-pentyl isocyanate
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | 2.85 | 1.12 | -2.4 | 0 | 2 | 0 | 29 | 155.241 | 3 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Boiling_Point | 170-172? | Alfa-Aesar |
| Boiling_Point | 170-172° | Alfa-Aesar |
