chempirical

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

C14H22N2O8CAS 13291-61-7346.34 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
logP
-0.76Crippen estimate
Polar surface area
155.7 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
10
Stereocentres
S, Sin SMILES atom order

Identifiers

CAS number
13291-61-7
SMILES
O=C(O)CN(CC(=O)O)[C@H]1CCCC[C@@H]1N(CC(=O)O)CC(=O)O
InChIKey
FCKYPQBAHLOOJQ-WSYQHHSTNA-N
InChI
InChI=1/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)/t9-,10-/s2

Weigh it out

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

Names and synonyms

21 names · show all
  • Glycine, N,N′-(1R,2R)-1,2-cyclohexanediylbis[N-(carboxymethyl)-, rel-
  • Acetic acid, (1,2-cyclohexylenedinitrilo)tetra-, trans-
  • Glycine, N,N′-1,2-cyclohexanediylbis[N-(carboxymethyl)-, trans-
  • Rel-N,N′-(1R,2R)-1,2-Cyclohexanediylbis[N-(carboxymethyl)glycine]
  • Chelaton IV
  • Chelaton 4
  • trans-1,2-Diaminocyclohexanetetraacetic acid
  • CDTA
  • Chel 600
  • CGTA
  • Complexon IV
  • DCTA
  • CyDTA
  • trans-1,2-Cyclohexanediamine-N,N,N′,N′-tetraacetic acid
  • Titriplex IV
  • trans-(1,2-Cyclohexylenedinitrilo)tetraacetic acid
  • Chel CD
  • trans-(±)-N,N′-1,2-Cyclohexanediylbis[N-(carboxymethyl)glycine]
  • trans-1,2-Cyclohexanediaminetetraacetic acid
  • trans-Cyclohexane-1,2-diamine-N,N,N′,N′-tetraacetic acid
  • Cyclohexane-trans-1,2-diamine tetra-acetate

Work with trans-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

1,2-Diaminocyclohexane-N,N,N′,N′-tetraacetic acid482-54-2

Elsewhere

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