N-(3,3-Dimethylbutan-2-ylidene)hydroxylamine
Basic information
- CAS
2475-93-6- Standard SMILES
CC(=NO)C(C)(C)C- InChIKey
UNSDDJQNHCSVSW-UHFFFAOYSA-N- Molecular formula
- C6H13NO
- Average molar mass
- 115.17 g/mol
- Monoisotopic mass
- 115.09971404
Names & identifiers
- Preferred name
- N-(3,3-Dimethylbutan-2-ylidene)hydroxylamine
- IUPAC
- N-(3,3-dimethylbutan-2-ylidene)hydroxylamine
- English name
- PINACOLONE OXIME
- Molecular formula
- C6H13NO
- Molecular weight
- 115.17
Names & synonyms
N-(3,3-dimethylbutan-2-ylidene)hydroxylamineDTXSID401035133RefChem:1091100DTXCID401519583Pinacolin Oxime3,3-dimethylbutan-2-one oximeSCHEMBL770652SCHEMBL9311073SCHEMBL16474102DB-080809P1473F876125
Show more names
Nsc189815AKOS B006533PINACOLONE OXIMEPinacolinOxime>TIMTEC-BB SBB007770Pinacoloneoxime,98%tert-Butylmethyl ketoneoxime3,3-dimethyl-2-butyloneoxime
Database identifiers
- CAS
2475-93-6- PubChem CID
- 137609
- DTXSID
DTXSID401035133
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 32.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 99.6
Physicochemical properties
- Melting point
- 76 · 76-78 °C(lit.)
- Boiling point
- 172 °C · 172 °C / 748mmHg
- Density
- 0.86 · 0.86±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, sealed storage, away from moisture
- solubility
- soluble in Methanol
- pka
- 12.44 · 12.44±0.10(Predicted)
- form
- Crystalline Powder
- color
- White to off-white
- BRN
- 1700629 · 1700629
- CAS DataBase Reference
- 2475 · 2475-93-6(CAS DataBase Reference)
- Risk Statements
- 20 · 20/21/22-36/37/38
- Safety Statements
- 36 · 36/37/39
- WGK Germany
- 3 · 3
- HS Code
- 2928 · 2928.00.5000
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
- 3
- hs_code
- 2928.00.5000
- risk_code
- 20/21/22-36/37/38
- safety_code
- 36/37/39
Related reactions
2 records
Compound notes
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