Consensus flow list

Identity

Type
Neutral molecule
CAS
115-70-8
EC
204-101-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 2-amino-2-ethyl-1,3-propanediol

Alternative labels

8

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string IOAOAKDONABGPZ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H13NO2/c1-2-5(6,3-7)4-8/h7-8H,2-4,6H2,1H3
IUPAC name chemrof:IUPAC_name 2-amino-2-ethyl-1,3-propanediol
Molecular formula chemrof:molecular_formula C5H13NO2
Molecular mass chemrof:molecular_mass 119.164
Monoisotopic mass chemrof:monoisotopic_mass 119.094629
SMILES string chemrof:smiles_string CCC(N)(CO)CO

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=115-70-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.729 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID3029150 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8803 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL119482 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/0ADF1987D4 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J35.182B enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/8282 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=018599 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q27236537 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
134f8049-4535-4886-97bd-9c3d5e0606f2 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
d919e187-6d43-4c67-8f66-5fa4da14b2fd Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
fb032f30-799f-41f4-bb7d-1729be523525 Environmental → Air → Indoor EF 3.1 kg 4
7ca84529-09a4-44c5-9557-0167baba833d Environmental → Air → Long-term EF 3.1 kg 0
6de99ee7-1f15-4079-80c4-223b93eb57cc Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
bed2fa1e-5882-417b-8161-5e9e6528287e Environmental → Air → Unknown EF 3.1 kg 4
8499be58-f60b-464c-bc53-69d499ae311f Environmental → Ground → Agricultural EF 3.1 kg 4
971edd5e-9371-4f75-b066-099cf12760b6 Environmental → Ground → Non-agricultural EF 3.1 kg 4
7a4883e0-1bee-4251-8811-5ca21a4d3db6 Environmental → Ground → Unknown EF 3.1 kg 4
db6daa64-051f-4eee-b61d-9631e025bcac Environmental → Water → Long-term EF 3.1 kg 0
75dcd0ed-7dc5-4bcd-a052-b76918271c59 Environmental → Water → Ocean EF 3.1 kg 4
c12b898a-75b9-49d9-a185-c496167eedec Environmental → Water → Surface water EF 3.1 kg 4
4e8b6d71-bcfb-4cd6-93dc-7188f1c455b4 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-7662c4b0c6e0e640",
  "prefLabel": [
    {
      "@value": "2-amino-2-ethyl-1,3-propanediol",
      "@language": "en",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "(1,1-Bis(hydroxymethyl)propyl)amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Propanediol, 2-amino-2-ethyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Amino-2-ethylpropan-1,3-diol",
      "@language": "en",
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      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Amino-2-ethylpropanediol",
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    },
    {
      "@value": "2-Ethyl-2-amino-1,3-propanediol",
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    {
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}

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