MetaADEDB 2.0 @ LMMD
1,6-hexamethylene diisocyanate
(RRAMGCGOFNQTLD-UHFFFAOYSA-N)
Structure
SMILES
O=C=NCCCCCCN=C=O
Molecular Formula:
C8H12N2O2
Molecular Weight:
168.193
Log P:
1.2184
Hydrogen Bond Acceptor:
4
Hydrogen Bond Donor:
0
TPSA:
58.86
CAS Number(s):
822-06-0
Synonym(s)
1.
1,6-hexamethylene diisocyanate
2.
1,6-diisocyanatohexane
3.
1,6-hexane diisocyanate
4.
HDI cpd
5.
hexamethylene diisocyanate
External Link(s)
MeSHC015262
PubChem Compound13192
ChEBI53578
CHEMBLCHEMBL1896533
IUPHAR/BPS Guide to PHARMACOLOGY6291
Therapeutic Target DatabaseD0UD7H
ZINC1718505
Adverse Drug Event(s)
NameNumber of ReportsReference(s)Data Source
1Asthma, Occupational25918132CTD
2Asthma10934080CTD
3Dermatitis, Allergic Contact18759878
26795242		CTD
4Disorders of Environmental Origin17938725CTD
5Respiratory Hypersensitivity17693426
24211530		CTD
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