Substance

ID:326354

Hexetidine, mixture of stereoisomers

Names and Identifiers
IUPAC Traditional name
oraldene
IUPAC name
1,3-bis(2-ethylhexyl)-5-methyl-1,3-diazinan-5-amine
Synonyms
5-氨基-1,3-二(2-乙基己基)-5-甲基六氢嘧啶Hexetidine, mixture of stereoisomersNSC 17764海克替啶,立体异构体混合物5-Amino-1,3-bis(2-ethylhexyl)hexahydro-5-methylpyrimidine
Registration numbers
CAS Number
MDL Number
EC Number
PubChem SID
Properties
Physical Property
Flash Point
70 °C
158 °F
Boiling Point
160 °C/0.4 mmHg(lit.)
Density
0.889 g/mL at 25 °C(lit.)
Refractive Index
n20/D 1.4649(lit.)
Safety Information
GHS Hazard statements
H315-H319-H335
Risk Statements
36/37/38
GHS Signal Word
Warning
MSDS Link
Safety Statements
26-36
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
GHS Precautionary statements
P261-P305+P351+P338
European Hazard Symbols
Irritant Irritant (Xi)
GHS Pictograms
GHS07
Acute toxicity (oral, dermal, inhalation), category 4
Skin irritation, category 2
Eye irritation, category 2
Skin sensitisation, category 1
Specific Target Organ Toxicity – Single exposure, category 3
German water hazard class
3
Product Information
Empirical Formula (Hill Notation)
C21H45N3
Molecule Details
Packaging
1, 10 g in glass bottle
Application
Involved in studies:
• To identify pure liquid salt forms of aspirin1
• Of alkyl based selective displacers for protein purification via ion exchange chromatography2
• Of the in vivo application of models for testing drugs against nonreplicating Mycobacterium tuberculosis 3
• Nutrient-sensitized screening for drugs that shift the energy metabolism from mitochondrial respiration to glycolysis4
• Inhibition of angiogensis5
• Screening antimalarial drugs6
Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. 259187.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.
Molecular Spectra
No Data Available
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References
No Data Available
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