Basic information
- CAS
128000-11-3- Standard SMILES
Cc1ccc(N=C=O)cc1N=C=O.O=C=NCCCCCCN=C=O- InChIKey
SSKTUAMBCSPDKX-UHFFFAOYSA-N- Molecular formula
- C17H18N4O4
- Average molar mass
- 342.35 g/mol
- Monoisotopic mass
- 342.13280507
Names & identifiers
- Preferred name
- 1,6-Diisocyanatohexane;2,4-diisocyanato-1-methylbenzene
- IUPAC
- 1,6-diisocyanatohexane;2,4-diisocyanato-1-methylbenzene
- English name
- Benzene, 2,4-diisocyanato-1-methyl-, polymer with 1,6-diisocyanatohexane
- Molecular weight
- 0
Names & synonyms
128000-11-3SCHEMBL13458151,6-diisocyanatohexane;2,4-diisocyanato-1-methylbenzeneDTXSID80926052SSKTUAMBCSPDKX-UHFFFAOYSA-N1,6-Diisocyanatohexane--2,4-diisocyanato-1-methylbenzene (1/1)
Database identifiers
- CAS
128000-11-3、26426-91-5- PubChem CID
- 168535
- DTXSID
DTXSID80926052
Properties
Computed structural properties
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 434
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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