2-(2,2-Diethoxyethyl)-1h-imidazole
Basic information
- CAS
18999-43-4- Standard SMILES
CCOC(Cc1ncc[nH]1)OCC- InChIKey
SEPXIBIESLXLJY-UHFFFAOYSA-N- Molecular formula
- C9H16N2O2
- Average molar mass
- 184.24 g/mol
- Monoisotopic mass
- 184.12117776
Names & identifiers
- Preferred name
- 2-(2,2-Diethoxyethyl)-1h-imidazole
- IUPAC
- 2-(2,2-diethoxyethyl)-1H-imidazole
- English name
- 1-(2,2-diethoxyethyl)-1H-imidazole
- Molecular formula
- C9H16N2O2
- Molecular weight
- 184.24
Names & synonyms
2-(2,2-Diethoxyethyl)imidazole2-(2,2-diethoxyethyl)-1h-imidazoleEINECS 242-739-372PZ8W7MLFDTXSID70172440SEPXIBIESLXLJY-UHFFFAOYSA-NAKOS030246619NS00026212G485341H-Imidazole, 1-(2,2-diethoxyethyl)-
Database identifiers
- CAS
18999-43-4- PubChem CID
- 87888
- DTXSID
DTXSID70172440- UNII
- 72PZ8W7MLF
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 47.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- Melting point
- 110 · 110-112 °C
- Boiling point
- 301.8 · 301.8±32.0 °C(Predicted)
- Density
- 1.04 · 1.04±0.1 g/cm3(Predicted)
- pka
- 6.88 · 6.88±0.12(Predicted)
- FDA UNII
- 72 PZ8W7MLF · 72PZ8W7MLF
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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