AG00384D

280-57-9 | 1,4-Diazabicyclo(2.2.2)octane

AG00384D

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CAS Number	280-57-9
Catalog Number	AG00384D(AGN-PC-0JK8Y4)
Chemical Name	1,4-Diazabicyclo(2.2.2)octane
EC Number	205-999-9
IUPAC Name	1,4-diazabicyclo[2.2.2]octane
InChI	InChI=1S/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H2
InChI Key	IMNIMPAHZVJRPE-UHFFFAOYSA-N
MDL Number	MFCD00006689
Molecular Formula	C6H12N2
Molecular Weight	112.1729
NSC Number	56362
SMILES	C1CN2CCN1CC2
UNII	X8M57R0JS5
Synonyms	1,4-diazabicyclo(2.2.2)octane, 1,4-diazabicyclo-octane, DABCO, DABCO cpd, triethylenediamine, triethylenediamine diacetate, 1,4-Diazabicyclo[2.2.2]octane, Triethylenediamine, 280-57-9, Dabco, Dabco 33LV, 1,4-Ethylenepiperazine, 1,4-DIAZABICYCLO(2.2.2)OCTANE, Dabco crystal, TEDA, Texacat TD 100, Dabco S-25, N,N'-endo-Ethylenepiperazine, D 33LV, 1,4-Diazabicyclo-octane, Dabco EG, Dabco R-8020, 1,4-Diazobicyclo(2.2.2)octane, Thancat TD 33, Bicyclo(2,2,2)-1,4-diazaoctane, 1,4-diazabicyclooctane, 1,4-diazabicyclo[2,2,2]octane, 1,4-diaza-bicyclo[2.2.2]octane, UNII-X8M57R0JS5, MFCD00006689, NSC 56362, CCRIS 6692, TED, HSDB 5556, 1,4-Diaza[2.2.2]bicyclooctane, EINECS 205-999-9, 1,4-Diazabicyclo [2.2.2] octane, AI3-24809, X8M57R0JS5, IMNIMPAHZVJRPE-UHFFFAOYSA-N, 1,4-Diazobicyclo[2.2.2]octane, Bicyclo[2.2.2]-1,4-diazaoctane, 1,4-DIAZABICYCLO-[2.2.2]OCTANE, 1,4-DIAZABICYCLO-(2,2,2)-OCTANE, DSSTox_CID_2016, DSSTox_RID_76461, DSSTox_GSID_22016, 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, Dabco crystalline, Tegoamin 33, 1,4-Diazabicyclo[2.2.2]octane, 97%, CAS-280-57-9, Triethylene diamine, Triethylene-diamine, Texacat TD-33, Bicyclo[2.2.2]octane, 1,4-diaza-, PubChem15925, TED; Triethylenediamine, triethylenediamine, TEDA, AC1L1SMP, ACMC-209h0p, EC 205-999-9, AC1Q1I7H, TEDA-L33, SCHEMBL14938, DABCO(R) 33-LV, KSC204C2H, GTPL2577, SCHEMBL7266053, Jsp005410, CHEMBL3183414, DTXSID0022016, 1,4diazabicyclo[2,2,2]octane, CTK1A4123, 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, KS-000001IQ, NSC56362, Tox21_201323, Tox21_302908, 1,4-diazabicyclo (2,2,2) octane, 1,4-diazabicyclo-[2.2.2]-octane, ANW-26327, NSC-56362, SBB060902, STL185594, ZINC19230107, 1,4-diaza bicyclo-[2,2.2]-octane, 1,4-diaza-bicyclo-[2,2,2]-octane, AKOS000119052, CS-W020025, LS40086, MCULE-6883393619, NE10451, RP19076, RTR-012465, EyOOI(c) paragraph signthorn degrees ., 1,4-Diazabicyclo(2.2.2)octane 97%, NCGC00249025-01, NCGC00256609-01, NCGC00258875-01, AK-94871, AN-23342, BC220310, BP-13441, LS-59703, PS-11951, SC-80825, 1,4-diazabicyclo[2.2.2]octane (dabco), AB1003052, TR-012465, D0134, FT-0700572, ST50192129, 9283-EP2270009A1, 9283-EP2270114A1, 9283-EP2275401A1, 9283-EP2284169A1, 9283-EP2287161A1, 9283-EP2287162A1, 9283-EP2298763A1, 9283-EP2298772A1, 9283-EP2308839A1, 9283-EP2308849A1, 9283-EP2308850A1, 9283-EP2308872A1, 9283-EP2316829A1, 9284-EP2270009A1, 9284-EP2270010A1, 9284-EP2272846A1, 9284-EP2275398A1, 9284-EP2277868A1, 9284-EP2277869A1, 9284-EP2277870A1, 9284-EP2280000A1, 9284-EP2284169A1, 9284-EP2286915A2, 9284-EP2287161A1, 9284-EP2287162A1, 9284-EP2289868A1, 9284-EP2292608A1, 9284-EP2298763A1, 9284-EP2308838A1, 9284-EP2308872A1, 9284-EP2311811A1, 9284-EP2316828A1, 9284-EP2316829A1, T60041, 12029-EP2280000A1, 12029-EP2308838A1, 12029-EP2316828A1, 27252-EP2292611A1, 27252-EP2295438A1, 27252-EP2314575A1, I13-0282, Q-201875, F1908-0059, 1,4-Diazabicyclo[2.2.2]octane, ReagentPlus(R), >=99%, 1,4-Diazabicyclo[2.2.2]octane, Vetec(TM) reagent grade, 98%, InChI=1/C6H12N2/c1-2-8-5-3-7(1)4-6-8/h1-6H, Trietilenodiamina, Tego Amine, Kaolizer 31, Tegamine 33, DABCO cpd, Activator 105E, Dabco 3LV, Polycat 33LV, Texacat TD 33, 14-Ethylenepiperazine, Jeffcat TD 100, 1,4-etilenopiperazina, Dabco S 25, Minico L 1020, PC-TD, Niax A 33, Teda L 33, Dabco L 1202, D0Y4AS, Triethylenediamine diacetate, PC CAT TD 33, N N'-endo-Ethylenepiperazine, 33LV, C6H12N2, CID9237, 1,4-Diazabicyclo(2.2.2)oktan, 1,4-Diazabicyclo[2.2.2]oktan, AE 33, L 33E, LV 33, Bicyclo[2.2.2]-1 4-diazaoctane, 1,4-diazabiciclo [2.2.2] octano, C6-H12-N2, TD 100, 1,4-Diazabicyclo-nu[2.2.2]octane, Biciclo [2.2.2]-1,4-diazaoctano, Diazabicyclo(2,2,2)octane, 1,4-, A 33, L 33, LC 96003, 1,4-Diazabicyclo[2.2.2]octane, 98% 25g, C007306, triethylenediamine/ 1,4-diazabicyclo[2.2.2]octane, 1,4-Diazabicyclo[2.2.2]octane, 97% - 100G 100g, 1,4-Diazabicyclo(2.2.2)Octane 98% for synthesis 100gm, 88935-43-7,

Complexity	61.5
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	112.1g/mol
Formal Charge	0
Heavy Atom Count	8
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	112.176g/mol
Monoisotopic Mass	112.1g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	6.5A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	-0.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	4.1
Hazard statements	H315-H319-H335-H412
Packing Group	Ⅱ
Precautionary statements	P261-P273-P305+P351+P338
UN Code	UN 1325

Certificate of Analysis

Lot Number