Tri-tert-butyl 1 4 7 10-tetraazacyclodod

C28H52N4O8CAS 137076-54-1572.74 g/mol

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Carboxylic acidEsterTertiary 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 Ų
H-bond donors / acceptors
1 / 11
Rotatable bonds
8

Hazards

Warning
Irritant (GHS07)

Aggregated from 40 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
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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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 3-(tert-Butoxy)-3-oxopropanoic acid40052-13-959 % similar Mono-tert-butyl succinate15026-17-257 % similar Dota (chelator)60239-18-157 % similar Pentetic acid67-43-655 % similar Triethylenetetraminehexaacetic acid869-52-355 % similar N-(tert-Butoxycarbonyl)iminodiacetic Acid56074-20-554 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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