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C22H24N2O10CAS 85233-19-8476.44 g/mol

Open in Covalent MOL file
OOHNOOHOONOHOOOH
Carboxylic acidEtherTertiary amine

Properties

Molecular formula
C22H24N2O10
Molar mass
476.44 g/mol
Exact mass
476.1431 Da
logP
1.10Crippen estimate
Polar surface area
174.1 Ų
H-bond donors / acceptors
4 / 8
Rotatable bonds
15

Hazards

Warning
Irritant (GHS07)

Aggregated from 43 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
85233-19-8
SMILES
O=C(O)CN(CC(=O)O)c1ccccc1OCCOc1ccccc1N(CC(=O)O)CC(=O)O
InChIKey
FTEDXVNDVHYDQW-UHFFFAOYSA-N
InChI
InChI=1S/C22H24N2O10/c25-19(26)11-23(12-20(27)28)15-5-1-3-7-17(15)33-9-10-34-18-8-4-2-6-16(18)24(13-21(29)30)14-22(31)32/h1-8H,9-14H2,(H,25,26)(H,27,28)(H,29,30)(H,31,32)

Weigh it out

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

Names and synonyms

5 names
  • Glycine, N,N′-[1,2-ethanediylbis(oxy-2,1-phenylene)]bis[N-(carboxymethyl)-
  • N,N′-[1,2-Ethanediylbis(oxy-2,1-phenylene)]bis[N-(carboxymethyl)glycine]
  • 1,2-Bis(o-aminophenoxy)ethane-N,N,N′,N′-tetraacetic acid
  • 1,2-Bis(2-aminophenoxy)ethane-N,N,N′,N′-tetraacetic acid
  • 2-[2-[2-[2-[Bis(carboxymethyl)amino]phenoxy]ethoxy]-N-(carboxymethyl)anilino]acetic acid

Work with BAPTA

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

Bapta-am126150-97-853 % similar N-Phenyliminodiacetic acid1137-73-153 % similar 1,2-Phenylenedioxydiacetic acid5411-14-350 % similar O-Bromophenoxyacetic acid1879-56-748 % similar 2-(2-Methoxyphenoxy)acetic acid1878-85-946 % similar 2-Ethoxyphenylacetic acid70289-12-244 % similar (2-Methylphenoxy)acetic acid1878-49-543 % similar o-Chlorophenoxyacetic acid614-61-943 % similar

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

Elsewhere

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