chempirical

1,2-Diaminocyclohexane-N,N,N′,N′-tetraacetic acid

C14H22N2O8CAS 482-54-2346.34 g/mol

Open in Covalent MOL file
OOHNOHONOHOOHO
Carboxylic acidTertiary amine

Properties

Molecular formula
C14H22N2O8
Molar mass
346.34 g/mol
Exact mass
346.1376 Da
Melting point
215 °C
logP
-0.76Crippen estimate
Polar surface area
155.7 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
10

Identifiers

CAS number
482-54-2
SMILES
O=C(O)CN(CC(=O)O)C1CCCCC1N(CC(=O)O)CC(=O)O
InChIKey
FCKYPQBAHLOOJQ-UHFFFAOYSA-N
InChI
InChI=1S/C14H22N2O8/c17-11(18)5-15(6-12(19)20)9-3-1-2-4-10(9)16(7-13(21)22)8-14(23)24/h9-10H,1-8H2,(H,17,18)(H,19,20)(H,21,22)(H,23,24)

Weigh it out

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

Names and synonyms

15 names · show all
  • Glycine, N,N′-1,2-cyclohexanediylbis[N-(carboxymethyl)-
  • Acetic acid, (1,2-cyclohexylenedinitrilo)tetra-
  • N,N′-1,2-Cyclohexanediylbis[N-(carboxymethyl)glycine]
  • 1,2-Cyclohexanediamine-N,N,N′,N′-tetraacetic acid
  • 1,2-Cyclohexylenediaminetetraacetic acid
  • 1,2-Diaminocyclohexanetetraacetic acid
  • 1,2-Cyclohexanediaminetetraacetic acid
  • o-Cyclohexanediaminetetraacetic acid
  • 1,2-Cyclohexylenedinitrilotetraacetic acid
  • Cyclohexanediaminetetraacetic acid
  • DCyTA
  • NSC 529593
  • NSC 7339
  • 2,2′,2′′,2′′′-(Cyclohexane-1,2-diylbis(azanetriyl))tetraacetic acid
  • 2-[[2-[Bis(carboxymethyl)amino]cyclohexyl]-(carboxymethyl)amino]acetic acid

Work with 1,2-Diaminocyclohexane-N,N,N′,N′-tetraacetic acid

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

Glycine, N,N′-trans-1,2-cyclohexanediylbis[N-(carboxymethyl)-, hydrate123333-90-488 % similar Rel-N,N′-(1R,2R)-1,2-cyclohexanediylbis[N-(carboxymethyl)glycine hydrate (1:1)125572-95-488 % similar N-(5-Amino-1-carboxypentyl)iminodiacetic acid113231-05-350 % similar Nitrilotriacetic acid139-13-948 % similar Cyclopentaneacetic acid1123-00-846 % similar Pdta1939-36-246 % similar N,N′-[(1S)-1-Methyl-1,2-ethanediyl]bis[N-(carboxymethyl)glycine]15250-41-645 % similar 1,2-Diaminopropane-N,N,N′,N′-tetraacetic acid4408-81-545 % similar

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

Same formula

trans-1,2-Diaminocyclohexane-N,N,N′,N′-tetraacetic acid13291-61-7

Elsewhere

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