Consensus flow list

Identity

Type
NeutralMolecule
CAS
4985-85-7
EC
225-642-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,1'-[(3-aminopropyl)imino]diethanol

Alternative labels

21

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string FKJVYOFPTRGCSP-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H18N2O2/c8-2-1-3-9(4-6-10)5-7-11/h10-11H,1-8H2
IUPAC name chemrof:IUPAC_name (3-Aminopropyl)bis(2-hydroxyethyl)amine
Molecular formula chemrof:molecular_formula C7H18N2O2
Molecular mass chemrof:molecular_mass 162.233
Monoisotopic mass chemrof:monoisotopic_mass 162.136828
SMILES string chemrof:smiles_string NCCCN(CCO)CCO

Known URLs

10

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=4985-85-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.023.311 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2044680 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8172 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186851 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/R21ZI8N14B enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J34.795G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/21088 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/erg/#3267 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27287690 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
eb0c5f19-4afc-4782-93d9-ddcd1f453443 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
b6f9d28e-80d2-4f8a-9ec1-1ffe30245108 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
97c420e9-4ff8-4a2a-9357-b4d12a741160 Environmental → Air → Indoor EF 3.1 kg 4
ab83d062-29f8-4e4f-b95c-9c10f62fe160 Environmental → Air → Long-term EF 3.1 kg 0
9bb0c6d7-4e81-4e4e-9703-8cc360bbd26c Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
d95f85c8-a066-4382-98b9-1e1bed0ed9f4 Environmental → Air → Unknown EF 3.1 kg 4
2b50ac90-1219-4688-acc9-dd8aa7cd2c52 Environmental → Ground → Agricultural EF 3.1 kg 4
f88b099e-d657-4966-b5f8-3ee5ab124309 Environmental → Ground → Non-agricultural EF 3.1 kg 4
91cea046-882b-4912-8c3d-99c210c24802 Environmental → Ground → Unknown EF 3.1 kg 4
24024dd2-95fd-4fd8-93a7-e645174af30c Environmental → Water → Long-term EF 3.1 kg 0
6690c032-d01e-4131-9aa3-3d75d1303efc Environmental → Water → Ocean EF 3.1 kg 4
e65c0fe0-d1c8-449b-94cc-6da59498a89e Environmental → Water → Surface water EF 3.1 kg 4
9f7b9544-2468-4af4-a2c9-1fdcec61ff67 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-e42d7751a60398c8",
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      "@value": "N-(3-Aminopropyl)-3-azapentane-1,5-diol",
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