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

C14H22N2O8CAS 13291-61-7346.34 g/mol

Open in Covalent MOL file
OOHNOOHNOOHOHO
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

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
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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Glycine, N,N′-trans-1,2-cyclohexanediylbis[N-(carboxymethyl)-, hydrate123333-90-4Hydrate Rel-N,N′-(1R,2R)-1,2-Cyclohexanediylbis[N-(carboxymethyl)glycine hydrate (1:1)125572-95-4Hydrate 1,2-Diaminocyclohexane-N,N,N',N'-tetraacetic acid482-54-2Stereo not defined

Similar compounds

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 Cypionic acid140-77-245 % similar Hexamethylenediaminetetraacetic acid1633-00-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook