Einecs 206-004-0
Basic information
- CAS
283-60-3- Standard SMILES
C1CN2CCO[Si](O1)OCC2- InChIKey
XBRVPWBNRAPVCC-UHFFFAOYSA-N- Molecular formula
- C6H12NO3Si
- Average molar mass
- 174.25 g/mol
- Monoisotopic mass
- 174.05864478
Names & identifiers
- Preferred name
- Einecs 206-004-0
- English name
- Silatrane
- Molecular formula
- C6H13NO3Si
- Molecular weight
- 175.26
Names & synonyms
EINECS 206-004-0UNII-GR8P7Y2MZWSCHEMBL2782778CHEMBL1992781XBRVPWBNRAPVCC-UHFFFAOYSA-NMSK23014AKOS006272947NCI60_008396T695074,6,11-trioxa-1-aza-5-silabicyclo[3.3.3]undecane1-HydrosilatraneRS-150
Show more names
SilatraneSILATRANE 97%2,8,9-trioxa-5-aza-1-silabicyclo[3.3.3]undecane2,8,9-trioxa-5-aza-1-silabicyclo(3.3.3)undecane1-Sila-2,8,9-trioxa-5-azabicyclo[3.3.3]undecane1-Aza-4,6,11-trioxa-5-silabicyclo[3.3.3]undecane
Database identifiers
- CAS
283-60-3- PubChem CID
- 6328633
- ChEMBL
CHEMBL1992781- UNII
- GR8P7Y2MZW
- Nikkaji
- J134.082D
Properties
Computed structural properties
- Topological polar surface area
- 30.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Melting point
- 254 °C · 254°C
- Boiling point
- 162.9 · 162.9±39.0 °C(Predicted)
- storage temp.
- Hygroscopic, Refrigerator, under inert atmosphere
- solubility
- Chloroform (Soluble), Methanol (Slightly)
- pka
- 6.61 · 6.61±0.20(Predicted)
- form
- solid
- color
- White to Off-White
- Stability
- Hygroscopic
- InChI
- 1S/C6H12NO3Si/c1-4-8-11-9-5-2-7(1)3-6-10-11/h1-6H2
- InChIKey
- XBRVPWBNRAPVCC-UHFFFAOYSA-N
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 P7Y2MZW · GR8P7Y2MZW
- EPA Substance Registry System
- 2 · 2,8,9-Trioxa-5-aza-1-silabicyclo[3.3.3]undecane (283-60-3)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 22 · NA.22
- WGK Germany
- 3 · WGK 3
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
UsesSilatrane can be used as a reversible cholinesterase inhibitor. Silatrane and its derivatives can also be used as antitumor agents.
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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