2,2-Dimethyl-1-(pyridin-2-yl)propan-1-one
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Basic information
- CAS
31595-32-1- Standard SMILES
CC(C)(C)C(=O)c1ccccn1- InChIKey
LTHFMKSCCBAWAT-UHFFFAOYSA-N- Molecular formula
- C10H13NO
- Average molar mass
- 163.22 g/mol
- Monoisotopic mass
- 163.09971404
Names & identifiers
- Preferred name
- 2,2-Dimethyl-1-(pyridin-2-yl)propan-1-one
- IUPAC
- 2,2-dimethyl-1-pyridin-2-ylpropan-1-one
- English name
- 2,2-DIMETHYL-1-PYRIDIN-2-YL-PROPAN-1-ONE
- Molecular formula
- C10H13NO
- Molecular weight
- 163.22
Names & synonyms
2,2-dimethyl-1-(pyridin-2-yl)propan-1-oneRefChem:441253826-642-931595-32-1T-BUTYL 2-PYRIDYL KETONE2,2-dimethyl-1-pyridin-2-ylpropan-1-oneMFCD067382732-pivaloylpyridine1-Propanone, 2,2-dimethyl-1-(2-pyridinyl)-t-butylpyridylketone2,2-DIMETHYL-1-PYRIDIN-2-YL-PROPAN-1-ONE2-Pyridyl t-butyl ketone
Show more names
2,2-Dimethyl-1-(2-pyridinyl)-1-propanone
tert-Butyl 2-pyridyl ketoneSCHEMBL398469T-BUTYL2-PYRIDYLKETONESCHEMBL29882945DTXSID80339461LTHFMKSCCBAWAT-UHFFFAOYSA-NGBA59532AKOS011682458
Database identifiers
- CAS
31595-32-1- PubChem CID
- 556341
- DTXSID
DTXSID80339461- EC Number
- 826-642-9
- Nikkaji
- J1.490.120E
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 30 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Boiling point
- 97 · 97-98 °C(Press: 15 Torr)
- Density
- 0.996 · 0.996±0.06 g/cm3(Predicted)
- pka
- 3.06 · 3.06±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
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Compound notes
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