Basic information
- CAS
13912-56-6- Standard SMILES
CC1C(N=C=O)CCCC1N=C=O- InChIKey
OHTRJOZKRSVAOX-UHFFFAOYSA-N- Molecular formula
- C9H12N2O2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.08987762
Names & identifiers
- Preferred name
- 1,3-Diisocyanato-2-methylcyclohexane
- IUPAC
- 1,3-diisocyanato-2-methylcyclohexane
- English name
- 1,3-diisocyanato-2-methylcyclohexane
- Molecular formula
- C9H12N2O2
- Molecular weight
- 180.20378
Names & synonyms
1,3-Diisocyanato-2-methylcyclohexane13912-56-6EINECS 237-683-1SCHEMBL43689SCHEMBL6061125SCHEMBL6903477DTXSID10930364OHTRJOZKRSVAOX-UHFFFAOYSA-NNS000519832-methyl-1,3-diisocyanatocyclohexane2-Methyl-1,3-cyclohexylenediisocyanate
Database identifiers
- CAS
13912-56-6- PubChem CID
- 85656
- DTXSID
DTXSID10930364- EC Number
- 237-683-1
- Nikkaji
- J23.457E
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 58.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 239
Chemistry & industry
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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