2-(4-Tert-Butyl-Benzenesulfonyl)-N-Hydroxy-Acetamidine
Basic information
- CAS
884504-70-5- Standard SMILES
CC(C)(C)c1ccc(S(=O)(=O)CC(N)=NO)cc1- InChIKey
PBCNZDGBLRFBKQ-UHFFFAOYSA-N- Molecular formula
- C12H18N2O3S
- Average molar mass
- 270.35 g/mol
- Monoisotopic mass
- 270.10381361
Names & identifiers
- Preferred name
- 2-(4-Tert-Butyl-Benzenesulfonyl)-N-Hydroxy-Acetamidine
- IUPAC
- 2-(4-tert-butylphenyl)sulfonyl-N'-hydroxyethanimidamide
- English name
- 1-((4-(tert-Butyl)phenyl)sulfonyl)-2-(hydroxyimino)eth-2-ylamine
- Molecular formula
- C12H18N2O3S
- Molecular weight
- 270.35
Names & synonyms
2-(4-TERT-BUTYLBENZENESULFONYL)-N'-HYDROXYETHANIMIDAMIDE2-(4-Tert-Butyl-Benzenesulfonyl)-N-Hydroxy-Acetamidine2-{[4-(tert-butyl)phenyl]sulfonyl}-N'-hydroxyethanimidamideMFCD03410410AKOS0302534412-(4-tert-butylphenyl)sulfonyl-N'-hydroxy-acetamidine1-((4-(tert-Butyl)phenyl)sulfonyl)-2-(hydroxyimino)eth-2-ylamineEthanimidamide, 2-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-N-hydroxy-
Database identifiers
- CAS
884504-70-5- PubChem CID
- 4574409
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Boiling point
- 440 · 440.0±55.0 °C(Predicted)
- Density
- 1.23 · 1.23±0.1 g/cm3(Predicted)
- pka
- 11.99 · 11.99±0.50(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HS Code
- 2925290090 · 2925290090
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
- hs_code
- 2925290090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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