1,1-Dimethyl-3-oxobutylammonium hydrogen oxalate

C₈H₁₅NO₅CAS 625-03-6205.21 g/mol

Open in Covalent MOL file

Carboxylic acid Ketone Primary amine

Properties

Molecular formula: C₈H₁₅NO₅
Molar mass: 205.21 g/mol
Exact mass: 205.0950 Da
logP: -0.14Crippen estimate
Polar surface area: 117.7 Å²
H-bond donors / acceptors: 3 / 4
Rotatable bonds: 2

Identifiers

CAS number

625-03-6

SMILES

CC(=O)CC(C)(C)N.C(=O)(C(=O)O)O

InChIKey

PABISXFQAHDPMS-UHFFFAOYSA-N

InChI

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)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

4-Amino-4-methylpentan-2-one;oxalic acid
4-Amino-4-methyl-2-pentanone Oxalate
Diacetonamine hydrogen oxalate
Diacetonamine, hemioxalate
4-Amino-4-methyl-2-pentanoneOxalate
Diacetonamine, monooxalate

Work with 1,1-Dimethyl-3-oxobutylammonium hydrogen oxalate

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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4-Amino-4-methyl-2-pentanone625-04-777 % similar 4,4-Dimethyl-2-pentanone590-50-143 % similar 4-Mercapto-4-methyl-2-pentanone19872-52-739 % similar 4-Methoxy-4-methyl-2-pentanone107-70-037 % similar 4-(Methylthio)-4-methyl-2-pentanone23550-40-537 % similar Hydroxyacetone116-09-637 % similar N-(1,1-Dimethyl-3-oxobutyl)-2-propenamide2873-97-436 % similar Hydroxylammonium oxalate4682-08-033 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Boc-L-serine3262-72-4 N-[(1,1-Dimethylethoxy)carbonyl]-D-serine6368-20-3

Elsewhere

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