chempirical

Hexamethylenediaminetetraacetic acid

C14H24N2O8CAS 1633-00-7348.35 g/mol

Open in Covalent MOL file
OOHNNOOHOOHOHO
Carboxylic acidTertiary amine

Properties

Molecular formula
C14H24N2O8
Molar mass
348.35 g/mol
Exact mass
348.1533 Da
logP
-0.51Crippen estimate
Polar surface area
155.7 Ų
H-bond donors / acceptors
4 / 6
Rotatable bonds
15

Identifiers

CAS number
1633-00-7
SMILES
O=C(O)CN(CCCCCCN(CC(=O)O)CC(=O)O)CC(=O)O
InChIKey
YGDVXSDNEFDTGV-UHFFFAOYSA-N
InChI
InChI=1S/C14H24N2O8/c17-11(18)7-15(8-12(19)20)5-3-1-2-4-6-16(9-13(21)22)10-14(23)24/h1-10H2,(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

7 names
  • Glycine, N,N′-1,6-hexanediylbis[N-(carboxymethyl)-
  • Acetic acid, (hexamethylenedinitrilo)tetra-
  • N,N′-1,6-Hexanediylbis[N-(carboxymethyl)glycine]
  • 1,6-Hexanediamine-N,N,N′,N′-tetraacetic acid
  • 1,6-Hexamethylenediamine-N,N,N′,N′-tetraacetic acid
  • 2-[6-[Bis(carboxymethyl)amino]hexyl-(carboxymethyl)amino]acetic acid
  • 2-([6-[Bis(carboxymethyl)amino]hexyl](carboxymethyl)amino)acetic acid

Work with Hexamethylenediaminetetraacetic 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

Pdta1939-36-286 % similar Ethylenediaminetetraacetic acid60-00-476 % similar Pentetic acid67-43-673 % similar Triethylenetetraminehexaacetic acid869-52-373 % similar Dota (chelator)60239-18-168 % similar Nitrilotriacetic acid139-13-967 % similar Diammonium edta20824-56-067 % similar (2-Hydroxyethyl)iminodiacetic acid93-62-964 % similar

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

Elsewhere

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