Consensus flow list

Identity

Type
Neutral molecule
CAS
75-64-9
EC
200-888-1
Origin
EF 3.1 hybrid_name_cas_v1
Changes
57 across every transformer

Structure

Structure diagram for Tert-butylamine

Alternative labels

15

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string YBRBMKDOPFTVDT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H11N/c1-4(2,3)5/h5H2,1-3H3
IUPAC name chemrof:IUPAC_name Tert-butylamine
Molecular formula chemrof:molecular_formula C4H11N
Molecular mass chemrof:molecular_mass 73.139
Monoisotopic mass chemrof:monoisotopic_mass 73.089149, 73.08915
SMILES string chemrof:smiles_string CC(C)(C)N

Known URLs

20

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=75-64-9 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:44639 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.000.808 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5024681 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB18019 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=9571 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL13782 enrich_references.pubchem_identifier_url
gmelin gmelin:1867 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/91Z53KF68U enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.944E enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=56568 enrich_references.pubchem_identifier_url
MetaCyc https://metacyc.org/compound?orgid=META&id=CPD-15151 enrich_references.chebi_xrefs
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C171681 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:NTB enrich_references.chebi_xrefs
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/6385 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#2735 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/23499827 enrich_references.chebi_xrefs
reaxys reaxys:605267 enrich_references.chebi_xrefs
wikidata.org https://www.wikidata.org/wiki/Q288188 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Tert-Butylamine enrich_references.chebi_xrefs

Elementary flows

14
Flow Context Source Unit CFs
796d6ed3-36c2-4f77-aa25-32aa9f473bc6 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
4a035aac-c6e9-43b6-96a6-9f45c93ce28a Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
bf70652a-d9ae-41f3-af19-d9adeceb4e1b Environmental → Air → Indoor EF 3.1 kg 2
b82d8c9a-9796-45ad-b654-10ce84645cec Environmental → Air → Long-term EF 3.1 kg 0
c748fb43-e653-4bd8-a181-32ca84f618e2 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4e7931fe-e497-4354-91fc-2dbe4a958825 Environmental → Air → Unknown EF 3.1 kg 2
3f9d9a5d-09b8-406f-b1eb-166763fec407 Environmental → Ground → Agricultural EF 3.1 kg 2
f715a8fd-5623-4073-b5d4-3679ac501a44 Environmental → Ground → Non-agricultural EF 3.1 kg 2
cf28a2ac-6dbb-4e36-8061-6117a4b28ba4 Environmental → Ground → Unknown EF 3.1 kg 2
af5a2f21-5638-48e9-a9dd-ced3968be2ab Environmental → Water → Long-term EF 3.1 kg 0
18a23376-3c55-408b-bb21-64c1450c99d1 Environmental → Water → Ocean EF 3.1 kg 2
cff12f64-4450-4c71-a35c-1fb1ba3e2d87 Environmental → Water → Surface water EF 3.1 kg 2
3090f1618b6462f89b4e69c152323ad659589baf Environmental → Water → Unconfined aquifer ecoinvent algorithm addition kg 0
ea255ce8-4b44-48d1-9c55-9aeb6022cf3f Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (57 changes)

Open the changes page

Full record

Flow object JSON
{
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  "altLabel": [
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