N-[1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethylidene]hydroxylamine
Basic information
- CAS
175136-27-3- Standard SMILES
CC(=NO)c1cc(C(C)(C)C)cc2c1CCC2(C)C- InChIKey
GXCYRUOTOFUODM-UHFFFAOYSA-N- Molecular formula
- C17H25NO
- Average molar mass
- 259.4 g/mol
- Monoisotopic mass
- 259.19361442
Names & identifiers
- Preferred name
- N-[1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethylidene]hydroxylamine
- IUPAC
- N-[1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethylidene]hydroxylamine
- English name
- 1-[6-(tert-Butyl)-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl]ethan-1-one oxime
- Molecular formula
- C17H25NO
- Molecular weight
- 259.39
Names & synonyms
175136-27-3N-[1-(6-tert-butyl-1,1-dimethyl-2,3-dihydroinden-4-yl)ethylidene]hydroxylamineN-[1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethylidene]hydroxylamineMaybridge1_0019421-(6-(tert-Butyl)-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)ethanone oximeDTXSID20352391Ethanone, 1-[6-(1,1-dimethylethyl)-2,3-dihydro-1,1-dimethyl-1H-inden-4-yl]-, oximeAKOS030661063DB-0440314-ACETYL-6-TERT-BUTYL-1,1-DIMETHYLINDANE OXIME1-[6-(tert-Butyl)-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl]ethan-1-one oxime(1Z)-1-(6-tert-butyl-1,1-dimethyl-2,3-dihydro-1H-inden-4-yl)-N-hydroxyethanimine
Database identifiers
- CAS
175136-27-3- PubChem CID
- 725575
- DTXSID
DTXSID20352391
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 364
Physicochemical properties
- Melting point
- 208 °C · 208 °C
- Boiling point
- 356.3 · 356.3±41.0 °C(Predicted)
- Density
- 1.01 · 1.01±0.1 g/cm3(Predicted)
- pka
- 11.49 · 11.49±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…