chempirical

Hexahydro-1,3,5-tripropionyl-s-triazine

C12H21N3O3CAS 30805-19-7255.32 g/mol

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ONNNOO
Amide

Properties

Molecular formula
C12H21N3O3
Molar mass
255.32 g/mol
Exact mass
255.1583 Da
logP
0.59Crippen estimate
Polar surface area
60.9 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

Hazards

Danger
Acute Toxic (GHS06)

Aggregated from 38 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number
30805-19-7
SMILES
CCC(=O)N1CN(CN(C1)C(=O)CC)C(=O)CC
InChIKey
AEPJNZPJFYDQLM-UHFFFAOYSA-N
InChI
InChI=1S/C12H21N3O3/c1-4-10(16)13-7-14(11(17)5-2)9-15(8-13)12(18)6-3/h4-9H2,1-3H3

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Names and synonyms

6 names
  • 1-[3,5-Di(propanoyl)-1,3,5-triazinan-1-yl]propan-1-one
  • 1,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tris(propan-1-one)
  • 1,1',1''-(1,3,5-Triazinane-1,3,5-Triyl)tripropan-1-One
  • 1-[3,5-Di(propanoyl)-[1,3,5]triazinan-1-yl]-propan-1-one
  • 1,1',1''-(1,3,5-Triazinane-1,3,5-triyl)tri(propan-1-one)
  • 1,1',1''-(1,3,5-Triazinane-1,3,5-triyl)triprop-2-en-1-one

Reactions

Work with Hexahydro-1,3,5-tripropionyl-s-triazine

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

Diethylpropionamide1114-51-867 % similar N,N-Dimethylpropionamide758-96-355 % similar 1-(4-Benzoyl-1-piperazinyl)-1-propanone314728-85-342 % similar Chloro-N,N-diethylacetamide2315-36-838 % similar 3,4-Hexanedione4437-51-838 % similar 3-Pentanone96-22-038 % similar N-Ethyl-2-pyrrolidone2687-91-436 % similar 3,6-Octanedione2955-65-935 % similar

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

Elsewhere

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