5,5'-Ureylenedi-o-tolyl diisocyanate
Basic information
- CAS
5206-52-0- Standard SMILES
Cc1ccc(NC(=O)Nc2ccc(C)c(N=C=O)c2)cc1N=C=O- InChIKey
VZWWZEJXAIOUFX-UHFFFAOYSA-N- Molecular formula
- C17H14N4O3
- Average molar mass
- 322.32 g/mol
- Monoisotopic mass
- 322.10659032
Names & identifiers
- Preferred name
- 5,5'-Ureylenedi-o-tolyl diisocyanate
- IUPAC
- 1,3-bis(3-isocyanato-4-methylphenyl)urea
- English name
- 5,5'-ureylenedi-o-tolyl diisocyanate
- Molecular formula
- C19H12N6O5
- Molecular weight
- 404.33578
Names & synonyms
5206-52-0EINECS 226-004-45,5'-Ureylenedi-o-tolyl diisocyanateSCHEMBL1069393DTXSID70966427NS00044710N,N'-Bis(3-isocyanato-4-methylphenyl)carbamimidic acidN,N'-Bis(3-isocyanato-4-methylphenyl)ureaUrea, N,N'-bis(3-isocyanato-4-methylphenyl)-
Database identifiers
- CAS
5206-52-0- PubChem CID
- 78885
- DTXSID
DTXSID70966427- EC Number
- 226-004-4
- Nikkaji
- J297.941A
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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