chempirical

Eddha

C18H20N2O6CAS 1170-02-1360.37 g/mol

Open in Covalent MOL file
OHOHNNHOOHHOHO
Carboxylic acidPhenolSecondary amine

Properties

Molecular formula
C18H20N2O6
Molar mass
360.37 g/mol
Exact mass
360.1321 Da
logP
1.23Crippen estimate
Polar surface area
139.1 Ų
H-bond donors / acceptors
6 / 6
Rotatable bonds
9

Identifiers

CAS number
1170-02-1
SMILES
O=C(O)C(NCCNC(C(=O)O)c1ccccc1O)c1ccccc1O
InChIKey
PZZHMLOHNYWKIK-UHFFFAOYSA-N
InChI
InChI=1S/C18H20N2O6/c21-13-7-3-1-5-11(13)15(17(23)24)19-9-10-20-16(18(25)26)12-6-2-4-8-14(12)22/h1-8,15-16,19-22H,9-10H2,(H,23,24)(H,25,26)

Weigh it out

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

Names and synonyms

19 names · show all
  • Benzeneacetic acid, α,α′-(1,2-ethanediyldiimino)bis[2-hydroxy-
  • Glycine, N,N′-ethylenebis[2-(o-hydroxyphenyl)-
  • α,α′-(1,2-Ethanediyldiimino)bis[2-hydroxybenzeneacetic acid]
  • CHEL 138
  • EDHPA
  • N,N′-Ethylenebis[2-(o-hydroxyphenyl)]glycine
  • Ethylenediaminebis(o-hydroxyphenylacetic acid)
  • Chel DP
  • Ethylenediaminedi-o-hydroxyphenylacetic acid
  • Ethylenediamine-N,N′-bis(o-hydroxyphenylacetic acid)
  • Ethylenediamine-N,N′-bis[α-(2-hydroxyphenyl)acetic acid
  • Ethylenediamine-N,N′-bis(2-hydroxyphenylacetic acid)
  • Ethylenediamine-N,N′-di[o-hydroxyphenylacetic acid]
  • EDBPHA
  • Ethylenebis[(o-hydroxyphenyl)glycine]
  • (2,2′-Ethylenediimino)bis[(2-hydroxyphenyl)acetic acid]
  • N,N′-Ethylenebis(o-hydroxyphenylglycine)
  • Ethylenediaminebis(2-hydroxyphenylacetic acid)
  • 704A

Work with Eddha

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

(±)-O-Tyrosine2370-61-845 % similar (+)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid23357-47-343 % similar (-)-1,2,3,4-Tetrahydronaphthalene-1-carboxylic acid85977-52-243 % similar (3R)-3-Phenyl-L-proline118758-48-842 % similar Fmoc-L-phenylglycine102410-65-141 % similar Fmoc-D-phg-oh111524-95-941 % similar (3R)-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid103733-65-940 % similar 3-Oxo-1-indancarboxylic acid29427-69-840 % similar

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

Same formula

Syringaldazine14414-32-5 Nitrendipine39562-70-4

Elsewhere

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