isophorone diisocyanate
(NIMLQBUJDJZYEJ-UHFFFAOYSA-N)
Structure
- SMILES
- O=C=NCC1(C)CC(N=C=O)CC(C1)(C)C
- Molecular Formula:
- C12H18N2O2
- Molecular Weight:
- 222.284
- Log P:
- 2.2430
- Hydrogen Bond Acceptor:
- 4
- Hydrogen Bond Donor:
- 0
- TPSA:
- 58.86
- CAS Number(s):
- 4098-71-9
Synonym(s)
1.
isophorone diisocyanate
External Link(s)
| MeSH | C015301 |
| PubChem Compound | 169132 |
| ChEBI | 53214 |
| CHEMBL | CHEMBL1509442 |
Adverse Drug Event(s)
| Name | Number of Reports | Reference(s) | Data Source | |
|---|---|---|---|---|
| 1 | Dermatitis, Allergic Contact | 18759878 | CTD | |
| 2 | Respiratory Hypersensitivity | 16940033 17693426 | CTD |
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