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Eglumine

HCID 84266
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Basic information

CAS
14216-22-9
Standard SMILES
CCNC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO
InChIKey
IKXCHOUDIPZROZ-LXGUWJNJSA-N
Molecular formula
C8H19NO5
Average molar mass
209.24 g/mol
Monoisotopic mass
209.12632271

Names & identifiers

Preferred name
Eglumine
IUPAC
(2R,3R,4R,5S)-6-(ethylamino)hexane-1,2,3,4,5-pentol
English name
N-Ethyl-D-glucamine
Molecular formula
C8H19NO5
Molecular weight
209.24

Names & synonyms

N-Ethyl-D-glucamine14216-22-9N-ethylglucamineEglumineD-Glucitol, 1-deoxy-1-(ethylamino)-UNII-K94D9J0608D-N-ETHYLGLUCAMINEINECS 238-073-8K94D9J0608DTXSID30161956GLUCITOL, 1-DEOXY-1-(ETHYLAMINO)-, D-RefChem:136361
Show more names
glucothylamineN-ethylgucamineN-EhtylglucamineN-ETHYLGUCAMINE 99+%N-Ethyl-D-glucamine>N-ethyl-D-glucoseamineN-Ethyl-D-glucaMine, 98%+N-Ethyl-D-glucamine, >=99%
DTXCID9084447238-073-8(2R,3R,4R,5S)-6-(Ethylamino)hexane-1,2,3,4,5-pentaol1-Deoxy-1-(ethylamino)-D-glucitolN-Ethyl glucamine(2R,3R,4R,5S)-6-(ethylamino)hexane-1,2,3,4,5-pentolethylglucamineD-(-)-N-Ethylglucamine

Database identifiers

CAS
14216-22-9
PubChem CID
84266
DTXSID
DTXSID30161956
UNII
K94D9J0608
EC Number
238-073-8
Nikkaji
J216.913D

Properties

Computed structural properties

XLogP
-2.5
Topological polar surface area
113 Ų
Hydrogen bond donors
6
Hydrogen bond acceptors
6
Rotatable bonds
7
Heavy atoms
14
Formal charge
0
Complexity
146

Physicochemical properties

Melting point
136 · 136-140 °C
alpha
-17 · -17 º (c=1%, H2O)
Boiling point
489.8 · 489.8±45.0 °C(Predicted)
Density
1.32 · 1.320±0.06 g/cm3(Predicted)
storage temp.
Inert atmosphere,Room Temperature
solubility
2 O: · H2O: 0.1 g/mL, clear, colorless
pka
13.51 · 13.51±0.20(Predicted)
form
Solid
color
White to Off-White
optical activity
17 · [α]/D 17.0±2.0°, c = 1% in H2O
Water Solubility
2 O: · H2O: 0.1g/mL, clear to almost clear, colorless to very faintly yellow
Stability
Hygroscopic
InChI
InChI=1S/C8H19NO5/c1-2-9-3-5(11)7(13)8(14)6(12)4-10/h5-14H,2-4H2,1H3/t5-,6+,7+,8+/m0/s1
InChIKey
IKXCHOUDIPZROZ-LXGUWJNJSA-N
SMILES
C(NCC)[C@@H]([C@H]([C@@H]([C@@H](CO)O)O)O)O

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 · 3 items

This chemical does not meet GHS hazard criteria for 100% (2 of 2) of all reports.

Not Classified

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory InformationChemical: D-Glucitol, 1-deoxy-1-(ethylamino)-
Hazard Classes and CategoriesNot Classified

Safety data

F
3-10-23
PPE
Eyeshields, Gloves, type N95 (US)
wgk
3
hs_code
29221990
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS05,GHS07
hazard_code
Xi
safety_code
26-36-24/25
Storage Class
11 - Combustible Solids
Hazard statements
H290-H314-H332
Precautionary statements
P264b-P271-P280-P284-P301+P330+P331-P304+P340-P305+P351+P338-P310-P363-P390-P402-P403+P233-P406b-P501c

Chemistry & industry

Applications

UsesN-Ethyl-D-glucamine is an ethylated amino sugar derived from Glucose (G595000). It has low vapor pressure and good thermal stability in air, and is used in self-driven microfluidic method to pattern organic films directly in air.

Preparation methods · 1 item

PreparationSodium metasilicate nonahydrate was dissolved in water to prepare a solution, which was then simultaneously added dropwise with concentrated nitric acid to deionized water at a certain temperature to form a gel. The gel was then filtered, and the filter cake was washed with deionized water until neutral. This gel was then added back to deionized water and dispersed evenly for later use. Next, magnesium nitrate hexahydrate and a mixture of sodium metasilicate nonahydrate and anhydrous sodium carbonate were separately prepared by adding them to water to prepare corresponding solutions. Both solutions were then simultaneously added dropwise to the solution from step one at a certain temperature to form a precipitate. This precipitate was then filtered, and the filter cake was washed with deionized water until neutral. The filter cake was dispersed in n-butanol, heated to dry, and most of the n-butanol and water were evaporated. The mixture was then further dried in an oven. The dried material was calcined in a muffle furnace to obtain the MgSiO composite carrier. Palladium chlorate is added to ammonia water and heated to form a tetraamminepalladium chloride solution. After ion exchange treatment with resin, a tetraamminepalladium hydroxide solution is prepared. MgSiO composite carrier is added to the tetraamminepalladium hydroxide solution from step one, mixed evenly, and then dried in an oven for a period of time at room temperature. After calcination and H2 pre-reduction treatment, the final product N-Ethyl-D-glucamine is obtained.

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Related reactions

5 records
New reaction record
HRID 975756 reaction equation
HRID 975756As reactantuspto-grants-1997_03
HRID 1267578 reaction equation
HRID 1267578As reactantuspto-grants-2003_04
HRID 1416857 reaction equation
HRID 1416857As reactantuspto-grants-1999_06
HRID 1450135 reaction equation
HRID 1450135As reactantuspto-grants-1997_02
HRID 1450140 reaction equation
HRID 1450140As reactantuspto-grants-1997_02

Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
CAS DataBase Reference
14216 · 14216-22-9(CAS DataBase Reference)
FDA UNII
94 D9J0608 · K94D9J0608
UNSPSC Code
12352116 · 12352116
NACRES
22 · NA.22
Symbol(GHS)
5 · GHS05,GHS07
Signal word
Warning
Hazard statements
290 · H290-H314-H332
Precautionary statements
264 b-P271-P280-P284-P301+P330+P331-P304+P340-P305+P351+P338-P310-P363-P390-P402-P403+P233-P406b-P501c · P264b-P271-P280-P284-P301+P330+P331-P304+P340-P305+P351+P338-P310-P363-P390-P402-P403+P233-P406b-P501c
PPE
95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes
Xi
Risk Statements
36 · 36/37/38
Safety Statements
26 · 26-36-24/25
WGK Germany
3 · 3
F
3 · 3-10-23
HS Code
29221990 · 29221990
Storage Class
11 · 11 - Combustible Solids