Triacetonamine
Properties
- Molecular formula
- C9H17NO
- Molar mass
- 155.24 g/mol
- Exact mass
- 155.1310 Da
- Melting point
- 36 °C
- Boiling point
- 205 °C
- pKa
- 7.9
- logP
- 1.50Crippen estimate
- Polar surface area
- 29.1 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 0
Hazards
Danger
- H290 May be corrosive to metals77.1% of notifiers
- H302 Harmful if swallowed100% of notifiers
- H314 Causes severe skin burns and eye damage79.2% of notifiers
- H315 Causes skin irritation20.8% of notifiers
- H317 May cause an allergic skin reaction79.2% of notifiers
- H318 Causes serious eye damage77.1% of notifiers
- H319 Causes serious eye irritation20.8% of notifiers
- H335 May cause respiratory irritation20.3% of notifiers
- H412 Harmful to aquatic life with long lasting effects79.2% of notifiers
Aggregated from 192 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P234, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P363, P390, P403+P233, P405, P406, P501
Identifiers
CAS number
826-36-8SMILES
CC1(C)CC(=O)CC(C)(C)N1InChIKey
JWUXJYZVKZKLTJ-UHFFFAOYSA-NInChI
InChI=1S/C9H17NO/c1-8(2)5-7(11)6-9(3,4)10-8/h10H,5-6H2,1-4H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
15 names · show all
- 4-Piperidinone, 2,2,6,6-tetramethyl-
- 4-Piperidone, 2,2,6,6-tetramethyl-
- 2,2,6,6-Tetramethyl-4-piperidinone
- 2,2,6,6-Tetramethyl-4-piperidone
- 2,2,6,6-Tetramethyl-4-oxopiperidine
- Triacetonamin
- Vincubine
- Vincubina
- 4-Oxo-2,2,6,6-tetramethylpiperidine
- Odoratine
- IKh 196
- NSC 16579
- TEMP
- Violine
- Tetramethylpiperidone
Work with Triacetonamine
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
cis-Tetrahydro-3a,6a-dimethyl-2,5(1H,3H)-pentalenedione21170-10-550 % similar
3,3,5,5-Tetramethylcyclohexanone14376-79-546 % similar
2,2,6,6-Tetramethyl-2H-3,5,6-trihydropyran-4-one1197-66-644 % similar
Tempone2896-70-041 % similar
Dimedone126-81-840 % similar
2,2,6,6-Tetramethylpiperidine768-66-139 % similar
5,5-Dimethylpyrrolidin-2-one5165-28-636 % similar
3,3-Dimethylcyclohexanone2979-19-334 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.