chempirical

Adelmidrol

C13H26N2O4CAS 1675-66-7274.36 g/mol

Open in Covalent MOL file
HONHOONHOH
Alcohol

Properties

Molecular formula
C13H26N2O4
Molar mass
274.36 g/mol
Exact mass
274.1893 Da
Melting point
132–134 °C
logP
1.61Crippen estimate
Polar surface area
105.6 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
12

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
1675-66-7
SMILES
OCCN=C(O)CCCCCCCC(O)=NCCO
InChIKey
PAHZPHDAJQIETD-UHFFFAOYSA-N
InChI
InChI=1S/C13H26N2O4/c16-10-8-14-12(18)6-4-2-1-3-5-7-13(19)15-9-11-17/h16-17H,1-11H2,(H,14,18)(H,15,19)

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Names and synonyms

6 names
  • Nonanediamide, N1,N9-bis(2-hydroxyethyl)-
  • Nonanediamide, N,N′-bis(2-hydroxyethyl)-
  • N1,N9-Bis(2-hydroxyethyl)nonanediamide
  • N,N′-Bis(2-hydroxyethyl)nonanediamide
  • NSC 27132
  • N,N′-Bis(2-hydroxyethyl)nonandiamide

Work with Adelmidrol

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

Stearoylethanolamide111-57-978 % similar Lauric acid monoethanolamide142-78-978 % similar Palmitoylethanolamide544-31-078 % similar Caprolactam105-60-270 % similar Enantholactam673-66-570 % similar Octahydro-2H-azonin-2-one935-30-870 % similar Laurolactam947-04-670 % similar 2-Piperidinone675-20-765 % similar

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

Elsewhere

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