Basic information
- CAS
79874-76-3- Standard SMILES
CCCC(CCC)CCCC1COCCN1CCO- InChIKey
QSFOWAYMMZCQNF-UHFFFAOYSA-N- Molecular formula
- C16H33NO2
- Average molar mass
- 271.44 g/mol
- Monoisotopic mass
- 271.2511293
Overview
Delmopinol is a member of morpholines.
Names & identifiers
- Preferred name
- Delmopinol
- IUPAC
- 2-[3-(4-propylheptyl)morpholin-4-yl]ethanol
- English name
- Delmopinol
- Molecular formula
- C16H33NO2
- Molecular weight
- 271.44
Names & synonyms
Delmopinol79874-76-3Decapinoldelmopinol HClDelmopinolumDT67WL708FM-1650RefChem:1316262-[3-(4-propylheptyl)morpholin-4-yl]ethanolDelmopinol [INN]Decapinolum3-(4-Propylheptyl)-4-morpholineethanol
Show more names
(+-)-3-(4-Propylheptyl)-4-morpholineethanol4-Morpholineethanol, 3-(4-propylheptyl)-, ( -)-
Delmopinolum [INN-Latin]UNII-DT67WL708FDTXSID10868552QSFOWAYMMZCQNF-UHFFFAOYSA-NDELMOPINOL [MI](RS)-2-(3-(4-Propylheptyl)morpholino)ethanolDELMOPINOL [WHO-DD]2-[3-(4-Propylheptyl)morpholin-4-yl]ethan-1-ol
Database identifiers
- CAS
79874-76-3- PubChem CID
- 57337
- DTXSID
DTXSID10868552- ChEMBL
CHEMBL2104220- ChEBI
CHEBI:135122- UNII
- DT67WL708F
- EC Number
- 943-564-1
- Nikkaji
- J22.787K
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 10
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 205
Physicochemical properties
- Boiling point
- 374.6 · 374.6±22.0 °C(Predicted)
- Density
- 0.924 · 0.924±0.06 g/cm3(Predicted)
- solubility
- 2 O:0.2 · H2O:0.2(Max Conc. mg/mL);0.74(Max Conc. mM)
- pka
- 14.9 · 14.90±0.10(Predicted)
- FDA UNII
- 67 WL708F · DT67WL708F
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 100% (4 of 4) of all reports.
Not Classified
Aggregated GHS information provided per 4 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationREACH registered substance: 2-(3-(4-propylheptyl)morpholino)ethan-1-ol (EC: 943-564-1)
Hazard Classes and CategoriesNot Classified
Safety data
- REACH Registrations
- Active
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Solutions for rinsing the mouth, possessing cleansing, germicidal, or palliative properties. (From Boucher's Clinical Dental Terminology, 4th ed)
Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics.
Applications
UsesDelmopinol can be used in therapeutic use and biological study for its effect and fluoride on acid adaptation and acid production in dental plaque biofilms.
Suppliers6 total
Alfa Chemistry1-516-6625404 · [email protected]
BOC Sciences16314854226; +8616314854226 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
Capot Chemical Co.,Ltd.+86-（0）57185586718 +86-13336195806 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Additional notes
DefinitionChEBI: Delmopinol is a member of morpholines.
Related reactions
3 records
Compound notes
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