N-(2-Hydroxyethyl)hexonamide
Basic information
- CAS
686298-93-1- Standard SMILES
O=C(NCCO)C(O)C(O)C(O)C(O)CO- InChIKey
DTMUKVUZNZJFNO-UHFFFAOYSA-N- Molecular formula
- C8H17NO7
- Average molar mass
- 239.22 g/mol
- Monoisotopic mass
- 239.10050188
Overview
N-Gluconyl ethanolamine is a N-acylethanolamine.
Names & identifiers
- Preferred name
- N-(2-Hydroxyethyl)hexonamide
- IUPAC
- 2,3,4,5,6-pentahydroxy-N-(2-hydroxyethyl)hexanamide
- English name
- N-Gluconyl ethanolamine
- Molecular formula
- C8H19NO6
- Molecular weight
- 225.23956
Names & synonyms
N-(2-Hydroxyethyl)hexonamideDTXSID80863539RefChem:825489DTXCID90812139Gluconic acid ethanolamineN-(2-Hydroxyethyl) HexonamideSCHEMBL4949039N-(2-Hydroxyethyl) gluconamideCHEBI:166480686298-93-1NS00121144gluconyl ethanolamine
Show more names
N-Gluconyl ethanolamine
Database identifiers
- CAS
686298-93-1- PubChem CID
- 226311
- DTXSID
DTXSID80863539- ChEBI
CHEBI:166480- EC Number
- 639-162-8
Properties
Computed structural properties
- XLogP
- -4.3
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 7
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 213
Experimental & physicochemical properties
Solubility
Very soluble in water; insoluble in pentane
Slightly soluble (in ethanol)
Physical DescriptionWhite, crystalline powder; Cooked brown and roasted aroma
Physicochemical properties
- FEMA
- 4254 · 4254 | N-GLUCONYL ETHANOLAMINE
- FLAVIS Number
- 16.102 · 16.102 | 2,3,4,5,6-Pentahydroxy-N-(2-hydroxyethyl)-hexanamide
- Odor
- roasted
- JECFA Number
- 1772 · 1772
- LogP
- -3.83 · -3.83
- FDA UNII
- 8 TJ5R9FE4M · 8TJ5R9FE4M
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% (89 of 89) of all reports.
Not Classified
Aggregated GHS information provided per 89 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesNot Classified
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use ClassificationFlavoring Agents -> JECFA Flavorings Index
Additional notes
DefinitionChEBI: N-Gluconyl ethanolamine is a N-acylethanolamine.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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