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Triethylenediamine

PubChem CID: 9237

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Compound Synonyms 1,4-Diazabicyclo[2.2.2]octane, Triethylenediamine, 280-57-9, Dabco, 1,4-DIAZABICYCLO(2.2.2)OCTANE, 1,4-Ethylenepiperazine, Dabco 33LV, Dabco crystal, Dabco S-25, Triethylene diamine, 1,4-Diazabicyclo-octane, Dabco R-8020, TEDA, Texacat TD 100, N,N'-endo-Ethylenepiperazine, Dabco crystalline, Bicyclo(2,2,2)-1,4-diazaoctane, D 33LV, Tegoamin 33, 1,4-Diaza[2.2.2]bicyclooctane, 1,4-Diazobicyclo(2.2.2)octane, NSC 56362, CCRIS 6692, HSDB 5556, 1,4-diazabicyclo[2,2,2]octane, EINECS 205-999-9, UNII-X8M57R0JS5, MFCD00006689, Texacat TD-33, DTXSID0022016, TED, AI3-24809, NSC-56362, 1,4-Diazabicyclo [2.2.2] octane, Bicyclo[2.2.2]octane, 1,4-diaza-, TEDA-L33, 1,4-diazabicyclo[2.2.2]octane (dabco), TRIETHYLENEDIAMINE [MI], DTXCID902016, X8M57R0JS5, TRIETHYLENEDIAMINE [HSDB], CHEBI:151129, 1,4-diazabicyclo-2,2,2-octane, EC 205-999-9, 1,4-Diazobicyclo[2.2.2]octane, Bicyclo[2.2.2]-1,4-diazaoctane, 1,4-DIAZABICYCLO-(2,2,2)-OCTANE, Dabco EG, Thancat TD 33, 1,4-Diaza(2.2.2)bicyclooctane, 1,4-diazabicyclo(2,2,2)octane, 1,4-diazobicyclo(2,2,2)octane, 1,4-diazobicyclo[2,2,2]octane, 1,4-diazabicyclo (2.2.2)octane, 1,4-diazabicyclo [2.2.2]octane, 1,4-diazabicyclo(2.2.2) octane, 1,4-diazabicyclo(2.2.2)-octane, 1,4-diazabicyclo[2.2.2] octane, 1,4-diazabicyclo[2.2.2]-octane, 1,4-diazabicyclo (2.2.2) octane, 1,4-diazabicyclo-[2,2,2]-octane, 1,4-diaza-bicyclo[2.2.2]octane, Bicyclo(2.2.2)octane, 1,4-diaza-, Triethylene-diamine, CAS-280-57-9, DABCO cpd, 1,4Diazabicyclooctane, 1,4Ethylenepiperazine, Dabco S25, Dabco R8020, 1,4-DIAZABICYCLO-[2.2.2]OCTANE, N,N'endoEthylenepiperazine, SCHEMBL14938, DABCO(R) 33-LV, Triethylenediamine, DABCO, TED, GTPL2577, SCHEMBL7266053, CHEMBL3183414, 1,4Diazabicyclo(2.2.2)octane, 1,4diazabicyclo[2,2,2]octane, 1,4Diazobicyclo(2.2.2)octane, Bicyclo(2,2,2)1,4diazaoctane, 1.4-diazabicyclo[2.2.2]octan, 1,4-Diazabicylo[2.2.2]octane, 1,4 diazabicyclo[2,2,2]octane, 1,4-diazabicyclo[2,2,21octane, 1,4-diazabicyclo[2.2.21octane, 1,4-Diazabicylco[2,2,2]octane, 1,4- diazabicyclo(2,2,2)octane, 1,4-di azabicyclo[2.2.2]octane, 1,4-diaza bicyclo[2,2,2]octane, 1,4-diaza bicyclo[2.2.2]octane, 1,4-diazabicyclo (2,2,2)octane, 1,4-diazabicyclo-[2,2,2]octane, 1,4-diazabicyclo[2,2,2]-octane, 1,4-diazabicyclo[2.2.2.]octane, HY-Y0566, NSC56362, Tox21_201323, Tox21_302908, 1,4-diazabicyclo (2,2,2) octane, 1,4-diazabicyclo-[2.2.2]-octane, STL185594, 1,4-diaza bicyclo-[2,2.2]-octane, 1,4-diaza-bicyclo-[2,2,2]-octane, AKOS000119052, CS-W020025, FD14322, 1,4-Diazabicyclo(2.2.2)octane 97%, NCGC00249025-01, NCGC00256609-01, NCGC00258875-01, 88935-43-7, BP-13441, PS-11951, D0134, NS00001624, EN300-18991, D70975, T60041, Q423673, F1908-0059, 1,4-Diazabicyclo[2.2.2]octane, ReagentPlus(R), >=99%, 1,4-Diazabicyclo[2.2.2]octane, Vetec(TM) reagent grade, 98%, 205-999-9
Topological Polar Surface Area 6.5
Hydrogen Bond Donor Count 0.0
Heavy Atom Count 8.0
Isotope Atom Count 0.0
Molecular Complexity 61.5
Database Name cmaup_ingredients;npass_chem_all;pubchem
Defined Atom Stereocenter Count 0.0
Iupac Name 1,4-diazabicyclo[2.2.2]octane
Prediction Hob 1.0
Xlogp -0.2
Molecular Formula C6H12N2
Prediction Swissadme 0.0
Inchi Key IMNIMPAHZVJRPE-UHFFFAOYSA-N
Fcsp3 1.0
Logs 0.469
Rotatable Bond Count 0.0
Logd 0.456
Compound Name Triethylenediamine
Prediction Hob Swissadme 0.0
Exact Mass 112.1
Formal Charge 0.0
Monoisotopic Mass 112.1
Hydrogen Bond Acceptor Count 2.0
Molecular Weight 112.17
Covalent Unit Count 1.0
Total Atom Stereocenter Count 0.0
Total Bond Stereocenter Count 0.0
Esol -0.44099119999999997
Inchi InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2
Smiles C1CN2CCN1CC2
Nring 3.0
Defined Bond Stereocenter Count 0.0

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  • 3. Outgoing r'ship FOUND_IN to/from Cicuta Virosa (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 4. Outgoing r'ship FOUND_IN to/from Cnidium Monieri (Plant) Rel Props:Reference:
  • 5. Outgoing r'ship FOUND_IN to/from Cnidium Monnieri (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all
  • 6. Outgoing r'ship FOUND_IN to/from Cnidium Officinale (Plant) Rel Props:Reference:
  • 7. Outgoing r'ship FOUND_IN to/from Fluegga Virosa (Plant) Rel Props:Reference:
  • 8. Outgoing r'ship FOUND_IN to/from Flueggea Virosa (Plant) Rel Props:Reference:
  • 9. Outgoing r'ship FOUND_IN to/from Gratiola Monnieri (Plant) Rel Props:Reference:
  • 10. Outgoing r'ship FOUND_IN to/from Lactuca Virosa (Plant) Rel Props:Reference:
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