4-Amino-4-methyl-2-pentanone
Properties
- Molecular formula
- C6H13NO
- Molar mass
- 115.18 g/mol
- Exact mass
- 115.0997 Da
- Melting point
- below 25 °C
- Boiling point
- 180 °C
- logP
- 0.70Crippen estimate
- Polar surface area
- 43.1 Ų
- H-bond donors / acceptors
- 1 / 2
- Rotatable bonds
- 2
Hazards
No GHS classification is on file for this compound. That is not evidence that it is harmless.
Identifiers
CAS number
625-04-7SMILES
CC(=O)CC(C)(C)NInChIKey
CQTRUFMMCCOKTA-UHFFFAOYSA-NInChI
InChI=1S/C6H13NO/c1-5(8)4-6(2,3)7/h4,7H2,1-3H3Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 2-Pentanone, 4-amino-4-methyl-
- Diacetonamine
- 2-Amino-2-methyl-4-pentanone
- (1,1-Dimethyl-2-oxobutyl)amine
Work with 4-Amino-4-methyl-2-pentanone
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
4,4-Dimethyl-2-pentanone590-50-154 % similar
2-Methyl-2-pentanol-4-one123-42-248 % similar
4-Mercapto-4-methyl-2-pentanone19872-52-748 % similar
4,4,4-Trifluorobutan-2-one2366-70-346 % similar
4-Methoxy-4-methyl-2-pentanone107-70-045 % similar
4-(Methylthio)-4-methyl-2-pentanone23550-40-545 % similar
Hydroxyacetone116-09-640 % similar
Bromoacetone598-31-240 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.