Consensus flow list

Identity

Type
NeutralMolecule
CAS
78-96-6
EC
201-162-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
56 across every transformer

Structure

Structure diagram for 1-aminopropan-2-ol

Alternative labels

23

Properties

PropertyValue
Elemental charge chemrof:elemental_charge 0
InChI2D key string chemrof:inchi2d_key_string HXKKHQJGJAFBHI-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H9NO/c1-3(5)2-4/h3,5H,2,4H2,1H3
IUPAC name chemrof:IUPAC_name 1-aminopropan-2-ol
Molecular formula chemrof:molecular_formula C3H9NO
Molecular mass chemrof:molecular_mass 75.111
Monoisotopic mass chemrof:monoisotopic_mass 75.06841, 75.068414
SMILES string chemrof:smiles_string CC(O)CN

Known URLs

26

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=78-96-6 enrich_references.chebi_xrefs
ChEBI https://www.ebi.ac.uk/chebi/searchId.do?chebiId=CHEBI:19030 enrich_references.chebi_id_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.001.057 enrich_references.pubchem_identifier_url
chemicalsafety.ilo.org https://chemicalsafety.ilo.org/dyn/icsc/showcard.display?p_card_id=0905 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID9021764 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3188 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL326602 enrich_references.pubchem_identifier_url
ecmdb ecmdb:ECMDB04013 enrich_references.chebi_xrefs
femaflavor.org https://www.femaflavor.org/flavor-library/1-amino-2-propanol enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/UE40BY1BZW enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0012136 enrich_references.chebi_xrefs
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.961E enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.150D enrich_references.pubchem_identifier_url
KEGG https://www.genome.jp/entry/C05771 enrich_references.chebi_xrefs
kegg.jp https://www.kegg.jp/entry/C05771 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=166299 enrich_references.pubchem_identifier_url
metabolomicsworkbench.org https://www.metabolomicsworkbench.org/data/StructureData.php?RegNo=93705 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/4 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/4362743 enrich_references.chebi_xrefs
PubMed https://pubmed.ncbi.nlm.nih.gov/5329339 enrich_references.chebi_xrefs
reaxys reaxys:605275 enrich_references.chebi_xrefs
rxnav.nlm.nih.gov https://rxnav.nlm.nih.gov/id/rxnorm/1736006 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q161580 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/1-Amino-2-propanol enrich_references.chebi_xrefs
Wikipedia https://en.wikipedia.org/wiki/1-Aminopropan-2-ol enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
1fad55d8-d517-45db-9d71-4e757ae9da02 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
071551d6-e4e6-4475-a2c0-b69fc97ece98 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
85ac4974-a9e3-4ff1-b978-ae765689cb79 Environmental → Air → Indoor EF 3.1 kg 4
d04399c1-18a0-47d0-9f2b-1f47f7195799 Environmental → Air → Long-term EF 3.1 kg 0
5c7ee57d-45e7-4023-aa53-9363e5318fd1 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
6b932c81-b9bd-42fc-ac74-e25fd272e741 Environmental → Air → Unknown EF 3.1 kg 4
853a04cd-bc70-44e3-bc73-b2d2146a265c Environmental → Ground → Agricultural EF 3.1 kg 4
70274d33-cf47-4acb-a94d-abfcecb03d69 Environmental → Ground → Non-agricultural EF 3.1 kg 4
f600eb98-2208-49d2-90e5-af8c8a376465 Environmental → Ground → Unknown EF 3.1 kg 4
3c908c5a-f7ac-4efa-b7fc-6cefdd7d3818 Environmental → Water → Long-term EF 3.1 kg 0
1d2c3530-334d-4c67-b3ad-39f08ad7b41f Environmental → Water → Ocean EF 3.1 kg 4
359537f8-83e4-4ce2-80a5-a19cfae55f7b Environmental → Water → Surface water EF 3.1 kg 4
147cb2bb-798f-45cf-abb0-56d3e51acd7a Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (56 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-58cd135012c72d97",
  "prefLabel": [
    {
      "@value": "1-aminopropan-2-ol",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(2-Hydroxy-2-methylethyl)amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
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      }
    },
    {
      "@value": "(RS)-1-Amino-2-hydroxypropane",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(RS)-1-amino-2-propanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(±)-1-Amino-2-propanol",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Amino-2-hydroxypropane",
      "@language": "en",
      "@lang": "en",
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    },
    {
      "@value": "1-Amino-2-propanol",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Aminoisopropanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-methyl-2-aminoethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Amino-1-methylethanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Hydroxy-1-propanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Hydroxy-1-propylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Hydroxypropanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-hydroxypropylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "2-Propanol, 1-amino-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-96-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Additive CA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "https://commonchemistry.cas.org/detail?cas_rn=78-96-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "alpha-aminoisopropyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_19030"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "dl-1-Amino-2-propanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=78-96-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "isopropanolamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "chebi_altlabels",
        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "MIPA",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=78-96-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "monoisopropanolamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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          "http://purl.obolibrary.org/obo/CHEBI_19030"
        ],
        "prov:wasDerivedFrom": "chebi synonym match"
      }
    },
    {
      "@value": "Threamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "https://commonchemistry.cas.org/detail?cas_rn=78-96-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "α-Aminoisopropyl alcohol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "β-Aminoisopropanol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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  ],
  "properties": {
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