1,4-diazabicyclooctane

Type: NeutralMolecule
CAS: 280-57-9
EC: 205-999-9
Origin: EF 3.1 hybrid_name_cas_v1
Changes: 57 across every transformer

1,4-diaza[2.2.2]bicyclooctane
1,4-diazabicyclo-octane
1,4-diazabicyclo[2.2.2]octane
1,4-ethylenepiperazine
33LSI
33LV
33LX
A 33LV
Amicure TEDA
Bicyclo[2.2.2]-1,4-diazaoctane
Catalyst A 33
D 33LV
DABCO
Dabco 33
Dabco 33LV
Dabco 33LX
Dabco 33S
Dabco 3LV
Dabco A 33
DABCO Crystal
Dabco Crystalline
Dabco D 0134
Dabco H 1010
Dabco L 1202
Dabco LV 33
Dabco S 25
Jeffcat TD 100
Kaolizer 31
Lupragen N 201
Minico L 1020
N,N'-endo-ethylenepiperazine
N,N′-endo-Ethylenepiperazine
Niax A 33
PC CAT TD 33
PC-TD
Polycat 33LV
TED
TEDA
TEDA L 33
TEDA-L 25B
TEDA-L 33B
Tegamine 33
Tego Amine
Tegoamin 33
Texacat TD 100
Texacat TD 33
Thancat TD 33
Thancat TD 33A
Toral SM 2
Toyocat L 33
Toyocat TEDA L 33
Triethylenediamine
Wanalyst KC 152

Property	Value
Elemental charge chemrof:elemental_charge	0
InChI2D key string chemrof:inchi2d_key_string	IMNIMPAHZVJRPE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string	InChI=1S/C14H28N2/c1-2-4-8-14(9-5-3-1)16-12-7-6-10-15-11-13-16/h14-15H,1-13H2
IUPAC name chemrof:IUPAC_name	1,4-diazabicyclooctane
Molecular formula chemrof:molecular_formula	C6H12N2
Molecular mass chemrof:molecular_mass	112.176
Monoisotopic mass chemrof:monoisotopic_mass	112.100048, 112.10005
SMILES string chemrof:smiles_string	C1CCCC(N2CCCCNCC2)CCC1

Where else this substance is described. Collected while the pipeline resolved it — from ChEBI's cross-references, from PubChem's identifier list, and from the CAS number — so a link here is a record the merge actually read, not a search it suggests.

Resource	URL	Recorded by
CAS Common Chemistry	https://commonchemistry.cas.org/detail?cas_rn=280-57-9	enrich_references.chebi_xrefs
ChEBI	https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:151129	enrich_references.chebi_id_link
chem.echa.europa.eu	https://chem.echa.europa.eu/100.005.455	enrich_references.pubchem_identifier_url
ChemSpider	https://www.chemspider.com/Chemical-Structure.8882.html	enrich_references.chebi_xrefs
comptox.epa.gov	https://comptox.epa.gov/dashboard/DTXSID0022016	enrich_references.pubchem_identifier_url
dtp.cancer.gov	https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=56362	enrich_references.pubchem_identifier_url
ebi.ac.uk	https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3183414	enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov	https://gsrs.ncats.nih.gov/ginas/app/beta/substances/X8M57R0JS5	enrich_references.pubchem_identifier_url
HMDB	https://hmdb.ca/metabolites/HMDB0244208	enrich_references.pubchem_identifier_url
jglobal.jst.go.jp	http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J5.451H	enrich_references.pubchem_identifier_url
metabolomicsworkbench.org	https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=130613	enrich_references.pubchem_identifier_url
pharos.nih.gov	https://pharos.nih.gov/ligands/DLRGNCAASW1Z	enrich_references.pubchem_identifier_url
PubChem	https://pubchem.ncbi.nlm.nih.gov/compound/9237	enrich_references.pubchem_compound
PubMed	https://pubmed.ncbi.nlm.nih.gov/11233211	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/11300840	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/11670695	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/11670871	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/12324702	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/15074989	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/15726168	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/15861375	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/16172686	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/16999409	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/17147387	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/17441164	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/18465896	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/19360760	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/19384445	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/20013775	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/22012624	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/22903408	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/23044537	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/23651877	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/25545310	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/25793444	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/26093554	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/26352613	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/26422219	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/26594516	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/27375886	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/27726277	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/27982604	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/27991779	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/28112329	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/28252126	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/28443663	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/29046863	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/29048081	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/29363694	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/29517094	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/29683657	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/30011358	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/30288800	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/30723657	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/30869877	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/31150221	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/31185070	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/31328921	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/31547646	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/32086178	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/32150305	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/32243632	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/32441932	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/32657310	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/32987864	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/33107528	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/33351592	enrich_references.chebi_xrefs
PubMed	https://pubmed.ncbi.nlm.nih.gov/33750130	enrich_references.chebi_xrefs
reaxys	reaxys:103618	enrich_references.chebi_xrefs
wikidata.org	https://www.wikidata.org/wiki/Q423673	enrich_references.pubchem_identifier_url
Wikipedia	https://en.wikipedia.org/wiki/DABCO	enrich_references.chebi_xrefs

Flow	Context	Source	Unit	CFs
9df6693b-a7e6-4c27-9905-b6e4e5db762f	Environmental → Air → Aircraft cruise height	EF 3.1	kg	4
19beffd5-3296-42fb-93d6-8c5d21815f58	Environmental → Air → Ground level → Urban (>1000 people/square mile)	EF 3.1	kg	4
3590794a-6fef-4c6f-8942-2b7a930aacd9	Environmental → Air → Indoor	EF 3.1	kg	4
00b6b4bc-a3a5-4b12-ba67-4b4e76bd26bd	Environmental → Air → Long-term	EF 3.1	kg	0
7f26d14b-268c-4e20-98ed-9d78a8deadd0	Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile)	EF 3.1	kg	4
ed1d1cc9-37af-4365-802d-76d84aa260f9	Environmental → Air → Unknown	EF 3.1	kg	4
f938c22c-0ba5-4fd3-8703-57ff738543d0	Environmental → Ground → Agricultural	EF 3.1	kg	4
910823c3-3e44-4203-b784-e9b5d41a7c38	Environmental → Ground → Non-agricultural	EF 3.1	kg	4
faf9b435-0d4a-43f7-ad71-1b0076f3b832	Environmental → Ground → Unknown	EF 3.1	kg	4
c278ff37-6fda-4640-b6e0-13bf2f0a17bf	Environmental → Water → Long-term	EF 3.1	kg	0
f765d798-4ff0-4d9f-b04d-d18626dd5fcb	Environmental → Water → Ocean	EF 3.1	kg	4
8f6f46fd-8624-41e9-a58b-bf82395ba2df	Environmental → Water → Surface water	EF 3.1	kg	4
bdd43895-a74f-405f-9679-36cc9ca9ecfc	Environmental → Water → Unknown	EF 3.1	kg	4

Everything that changed this substance (57 changes)

Open the changes page

Flow object JSON

{
  "flow_object_id": "fo-071dccdde05af9f4",
  "prefLabel": [
    {
      "@value": "1,4-diazabicyclooctane",
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      "@value": "Bicyclo[2.2.2]-1,4-diazaoctane",
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    },
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      "@value": "Dabco 33LV",
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    {
      "@value": "Dabco 33LX",
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    },
    {
      "@value": "Dabco 33S",
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      "provenance": {
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      }
    },
    {
      "@value": "Dabco 3LV",
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      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=280-57-9"
        ],
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      }
    },
    {
      "@value": "Dabco A 33",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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          "https://commonchemistry.cas.org/detail?cas_rn=280-57-9"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "DABCO Crystal",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Dabco Crystalline",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Dabco D 0134",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Dabco H 1010",
      "@language": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "Dabco L 1202",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dabco LV 33",
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1,4-diazabicyclooctane

Identity

Structure

Alternative labels

Properties

Known URLs

Elementary flows

History

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