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625-04-7

625-04-7 Structure

625-04-7 Structure
IdentificationBack Directory
[Name]

4-AMINO-4-METHYL-2-PENTANONE HYDROGENOXALATE
[CAS]

625-04-7
[Synonyms]

Diacetonamine
Diacetoneamine
4-amino-4-methyl-2-pentanon
4-Amino-4-methyl-2-pentanone
4-Methyl-4-amino-2-pentanone
4-amino-4-methylpentan-2-one
DIACETONAMINE HYDROGENOXALATE
4-Methyl-4-aminopentane-2-one
2-Pentanone, 4-amino-4-methyl-
hexanoic acid cyclopentyl ester
DIACETONEAMINE HYDROGEN OXALATE
4-Amino-4-methyl-2-pentanone/Diacetonamine
2-Pentanone, 4-amino-4-methyl- (7CI,8CI,9CI)
4-AMINO-4-METHYL-2-PENTANONE HYDROGENOXALATE
4-Amino-4-methylpentan-2-one hydrogen oxalate
4-aMino-1-[(carboxycarbonyl)oxy]-4-Methylpentan-2-one
[EINECS(EC#)]

210-876-8
[Molecular Formula]

C6H13NO
[MDL Number]

MFCD00013013
[MOL File]

625-04-7.mol
[Molecular Weight]

115.17
Chemical PropertiesBack Directory
[Melting point ]

125-130 °C (dec.)(lit.)
[Boiling point ]

bp0.2 25°
[density ]

0.9837 (rough estimate)
[refractive index ]

1.4230 (estimate)
[storage temp. ]

Keep in dark place,Inert atmosphere,Room temperature
[form ]

solid
[pka]

8.84±0.25(Predicted)
[Merck ]

13,2981
[InChI]

1S/C6H13NO.C2H2O4/c1-5(8)4-6(2,3)7;3-1(4)2(5)6/h4,7H2,1-3H3;(H,3,4)(H,5,6)
[InChIKey]

CQTRUFMMCCOKTA-UHFFFAOYSA-N
[SMILES]

OC(=O)C(O)=O.CC(=O)CC(C)(C)N
[EPA Substance Registry System]

2-Pentanone, 4-amino-4-methyl- (625-04-7)
Safety DataBack Directory
[WGK Germany ]

3
[TSCA ]

TSCA listed
[Storage Class]

11 - Combustible Solids
Raw materials And Preparation ProductsBack Directory
[Raw materials]

2-Pentanone, 4-isothiocyanato-4-methyl--->Triacetonamine-->1,1-dimethyl-3-oxobutylammonium hydrogen oxalate-->Hydrochloric acid-->Acetone-->Ammonia
[Preparation Products]

2,2,4,4,6-pentamethyl-hexahydropyrimidine
Hazard InformationBack Directory
[Chemical Properties]

White crystals. Melting point 126-127 ° C (decomposition). Soluble in alcohol, water, ether.
[Uses]

Used as organic intermediates.
[Synthesis]

After the mesityl oxide reacts with 27% ammonia water, the excess ammonia is removed, the reaction solution is dissolved in an equal volume of absolute ethanol, and then salified with an oxalic acid-ethanol solution.
Spectrum DetailBack Directory
[Spectrum Detail]

4-AMINO-4-METHYL-2-PENTANONE HYDROGENOXALATE(625-04-7)IR
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