Tri-tert-butyl 1 4 7 10-tetraazacyclodod

C₂₈H₅₂N₄O₈CAS 137076-54-1572.74 g/mol

Open in Covalent MOL file

Carboxylic acid Ester Tertiary amine

Properties

Molecular formula: C₂₈H₅₂N₄O₈
Molar mass: 572.74 g/mol
Exact mass: 572.3785 Da
logP: 1.32Crippen estimate
Polar surface area: 129.2 Å²
H-bond donors / acceptors: 1 / 11
Rotatable bonds: 8

Identifiers

CAS number

137076-54-1

SMILES

CC(C)(C)OC(=O)CN1CCN(CCN(CCN(CC1)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C)CC(=O)O

InChIKey

RVUXZXMKYMSWOM-UHFFFAOYSA-N

InChI

InChI=1S/C28H52N4O8/c1-26(2,3)38-23(35)19-30-12-10-29(18-22(33)34)11-13-31(20-24(36)39-27(4,5)6)15-17-32(16-14-30)21-25(37)40-28(7,8)9/h10-21H2,1-9H3,(H,33,34)

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

Names and synonyms

1 names

Tri-tert-butyl 1,4,7,10-Tetraazacyclododecane-1,4,7,10-tetraacetate

Work with Tri-tert-butyl 1 4 7 10-tetraazacyclodod

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

4-Boc-1-piperazineacetic acid156478-71-668 % similar Dtpa dianhydride23911-26-462 % similar Mono-tert-butyl malonate40052-13-959 % similar Mono-tert-butyl succinate15026-17-257 % similar Dota (chelator)60239-18-157 % similar Pentetic acid67-43-655 % similar Triethylenetetraminehexaacetic acid869-52-355 % similar Ethylenediaminetetraacetic acid60-00-452 % similar

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

Elsewhere

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