chempirical

N1,N2-Bis(2-hydroxyethyl)ethanediamide

C6H12N2O4CAS 1871-89-2176.17 g/mol

Open in Covalent MOL file
ONHHOONHOH
AlcoholAmide

Properties

Molecular formula
C6H12N2O4
Molar mass
176.17 g/mol
Exact mass
176.0797 Da
Melting point
168 °C
logP
-2.80Crippen estimate
Polar surface area
98.7 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
4

Identifiers

CAS number
1871-89-2
SMILES
O=C(NCCO)C(=O)NCCO
InChIKey
FPQJEXTVQZHURJ-UHFFFAOYSA-N
InChI
InChI=1S/C6H12N2O4/c9-3-1-7-5(11)6(12)8-2-4-10/h9-10H,1-4H2,(H,7,11)(H,8,12)

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Names and synonyms

7 names
  • Ethanediamide, N1,N2-bis(2-hydroxyethyl)-
  • Oxamide, N,N′-bis(2-hydroxyethyl)-
  • Ethanediamide, N,N′-bis(2-hydroxyethyl)-
  • BK 7
  • BK 7 (amide)
  • N,N′-Bis(2-hydroxyethyl)oxamide
  • NSC 3646

Work with N1,N2-Bis(2-hydroxyethyl)ethanediamide

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

Piperazine-2,3-dione13092-86-961 % similar (2-Hydroxyethyl)urea2078-71-946 % similar Diethanolamine111-42-240 % similar N1,N2-Diethylethanediamide615-84-939 % similar 2,2′-(1,2-Ethanediyldiimino)bis[ethanol]4439-20-738 % similar N-Methylethanolamine109-83-135 % similar Hydroxyethylhydrazine109-84-235 % similar Diethanolamine hydrochloride14426-21-235 % similar

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

Same formula

N,N'-Dimethoxy-N,N'-dimethyloxamide106675-70-1 Glycyl-dl-threonine27174-15-8 Dmdnb3964-18-9 1,2-Diethyl 1,2-hydrazinedicarboxylate4114-28-7 Ethylenediaminediacetic acid5657-17-0 Gly-thr7093-70-1

Elsewhere

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