3-((2-Isocyanatocyclohexyl)methyl)-o-tolyl isocyanate
Basic information
- CAS
94166-79-7- Standard SMILES
Cc1c(CC2CCCCC2N=C=O)cccc1N=C=O- InChIKey
HVZNNFVEMZLASN-UHFFFAOYSA-N- Molecular formula
- C16H18N2O2
- Average molar mass
- 270.33 g/mol
- Monoisotopic mass
- 270.13682782
Names & identifiers
- Preferred name
- 3-((2-Isocyanatocyclohexyl)methyl)-o-tolyl isocyanate
- IUPAC
- 1-isocyanato-3-[(2-isocyanatocyclohexyl)methyl]-2-methylbenzene
- English name
- 3-[(2-isocyanatocyclohexyl)methyl]-o-tolyl isocyanate
- Molecular formula
- C16H18N2O2
- Molecular weight
- 270.32632
Names & synonyms
94166-79-7EINECS 303-377-23-((2-Isocyanatocyclohexyl)methyl)-o-tolyl isocyanate1-isocyanato-3-[(2-isocyanatocyclohexyl)methyl]-2-methylbenzeneDTXSID90916207HVZNNFVEMZLASN-UHFFFAOYSA-NNS000667183-[(2-isocyanatocyclohexyl)methyl]-o-tolyl isocyanate1-Isocyanato-2-methyl-3-[(2-isocyanatocyclohexyl)methyl]benzene
Database identifiers
- CAS
94166-79-7- PubChem CID
- 3023929
- DTXSID
DTXSID90916207- EC Number
- 303-377-2
- Nikkaji
- J319.034J
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 411
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…