Basic information
- CAS
104535-19-5- Standard SMILES
CC(CCN=C=O)N=C=O- InChIKey
UFXYYTWJETZVHG-UHFFFAOYSA-N- Molecular formula
- C6H8N2O2
- Average molar mass
- 140.14 g/mol
- Monoisotopic mass
- 140.0585775
Names & identifiers
- Preferred name
- 1,3-Diisocyanatobutane
- IUPAC
- 1,3-diisocyanatobutane
Names & synonyms
1,3-diisocyanatobutane104535-19-5SCHEMBL43110SCHEMBL28190933DTXSID80621595
Database identifiers
- CAS
104535-19-5- PubChem CID
- 22019922
- DTXSID
DTXSID80621595
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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