Consensus flow list

Identity

Type
Neutral molecule
CAS
106-97-8
EC
203-448-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
58 across every transformer

Structure

Structure diagram for Butane

Alternative labels

6

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string IJDNQMDRQITEOD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C4H10/c1-3-4-2/h3-4H2,1-2H3
IUPAC name chemrof:IUPAC_name Butane
Molecular formula chemrof:molecular_formula C4H10
Molecular mass chemrof:molecular_mass 58.124
Monoisotopic mass chemrof:monoisotopic_mass 58.07825
SMILES string chemrof:smiles_string CCCC

Known URLs

31

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
beilstein beilstein:969129 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=106-97-8 enrich_references.chebi_xrefs
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=36788-85-9 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=72317-18-1 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=83602-47-5 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=9003-29-6 enrich_references.pubchem_identifier_url
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=9021-92-5 enrich_references.pubchem_identifier_url
cdc.gov https://www.cdc.gov/niosh-rtecs/EJ401640.html enrich_references.pubchem_identifier_url
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:37808 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.136 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0232 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID7024665 enrich_references.pubchem_identifier_url
drugbank.ca https://www.drugbank.ca/drugs/DB03689 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL134702 enrich_references.pubchem_identifier_url
gmelin gmelin:1148 enrich_references.chebi_xrefs
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/6LV4FOR43R enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J4.041J enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/C21390 enrich_references.pubchem_identifier_url
kegg.jp https://www.kegg.jp/entry/D03186 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=42509 enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C65276 enrich_references.pubchem_identifier_url
pdb-ccd pdb-ccd:NBU enrich_references.chebi_xrefs
platform.opentargets.org https://platform.opentargets.org/drug/CHEMBL134702 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7843 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1011 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#1075 enrich_references.pubchem_identifier_url
PubMed https://pubmed.ncbi.nlm.nih.gov/24179026 enrich_references.chebi_xrefs
reaxys reaxys:969129 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1310550 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q134192 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Butane enrich_references.chebi_xrefs

Elementary flows

13
Flow Context Source Unit CFs
4d9a8790-3ddd-11dd-94c6-0050c2490048 Environmental → Air → Aircraft cruise height EF 3.1 kg 7
4d9a8790-3ddd-11dd-94c4-0050c2490048 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 7
cfebf7cc-102f-4678-aad9-aa99faec1b21 Environmental → Air → Indoor EF 3.1 kg 6
4d9a8790-3ddd-11dd-94c3-0050c2490048 Environmental → Air → Long-term EF 3.1 kg 3
4d9a8790-3ddd-11dd-94c5-0050c2490048 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 7
4d9a8790-3ddd-11dd-94c2-0050c2490048 Environmental → Air → Unknown EF 3.1 kg 7
08a91e70-3ddc-11dd-9d56-0050c2490048 Environmental → Ground → Agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9d5b-0050c2490048 Environmental → Ground → Non-agricultural EF 3.1 kg 4
08a91e70-3ddc-11dd-9d57-0050c2490048 Environmental → Ground → Unknown EF 3.1 kg 4
08a91e70-3ddc-11dd-9d59-0050c2490048 Environmental → Water → Long-term EF 3.1 kg 0
08a91e70-3ddc-11dd-9d5c-0050c2490048 Environmental → Water → Ocean EF 3.1 kg 4
08a91e70-3ddc-11dd-9d58-0050c2490048 Environmental → Water → Surface water EF 3.1 kg 4
08a91e70-3ddc-11dd-9d5a-0050c2490048 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (58 changes)

Open the changes page

Full record

Flow object JSON
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