Molecular properties
- Formula
- C8H12N2O2
- Molar mass
- 168.20 g·mol−1
- Exact mass
- 168.0899 Da
- 4
- PubChem CID
- 13192
Molecule record
1,6-diisocyanatohexane
C8H12N2O2
168.20 g/mol
Loading structure
Functional groups
Alkane / alkyl carbon
Physical properties
No source-backed physical properties are curated for this molecule yet.
Common names and synonyms
- 0I70A3I1UF
- 1,6-Hexamethylene diisocyanate
- 1,6-Hexanediol diisocyanate
- 1,6-Hexylene diisocyanate
- 1,6-hexane diisocyanate
- 822-06-0
- CHEBI:53578
- DTXCID004143
Show all 24 synonyms
- DTXSID4024143
- Desmodur H
- GMDI
- HEXAMETHYLENE DIISOCYANATE
- HMDI
- Hexamethylendiisokyanat
- Hexamethylene-1,6-diisocyanate
- Hexane 1,6-diisocyanate
- Hexane, 1,6-diisocyanato-
- Isocyanic acid, diester with 1,6-hexanediol
- Isocyanic acid, hexamethylene ester
- Metyleno-bis-fenyloizocyjanian
- NSC-11687
- Szesciometylenodwuizocyjanian
- TL 78
- hexamethylenediisocyanate
Structure identifiers
- Canonical SMILES
- O=C=NCCCCCCN=C=O
- Isomeric SMILES
- C(CCCN=C=O)CCN=C=O
- InChI
- InChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2
- InChIKey
- RRAMGCGOFNQTLD-UHFFFAOYSA-N
- PubChem CID
- 13192
Spectroscopy
Tabs appear only for spectra stored with clear provenance.
No redistributable or simulated spectroscopy record is attached yet.
Simulated NMR
On-demand educational prediction for 1,6-diisocyanatohexane; not experimental data.
Simulated EI mass spectrum
On-demand educational fragmentation for 1,6-diisocyanatohexane; not experimental data.
Sources
Molecule identity
Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.