Consensus flow list

Identity

Type
Neutral molecule
CAS
534-03-2
EC
208-584-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

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

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KJJPLEZQSCZCKE-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C3H9NO2/c4-3(1-5)2-6/h3,5-6H,1-2,4H2
IUPAC name chemrof:IUPAC_name 2-amino-1,3-propanediol
Molecular formula chemrof:molecular_formula C3H9NO2
Molecular mass chemrof:molecular_mass 91.11
Monoisotopic mass chemrof:monoisotopic_mass 91.063329
SMILES string chemrof:smiles_string NC(CO)CO

Known URLs

11

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=534-03-2 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.007.805 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2060202 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=93746 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL116834 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/IC94L30J8M enrich_references.pubchem_identifier_url
HMDB https://hmdb.ca/metabolites/HMDB0244971 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J138.283G enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/68294 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q16068659 enrich_references.pubchem_identifier_url
Wikipedia https://en.wikipedia.org/wiki/Serinol enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
c75690c6-48a3-438d-8341-f8036c054ce3 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
86fb268f-c851-4a19-ac1f-5d6eedfa2355 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a7daae34-80da-4663-ac3e-55797cc6eeeb Environmental → Air → Indoor EF 3.1 kg 4
f662c77d-98bd-4772-8cdf-f0c4ac7ef260 Environmental → Air → Long-term EF 3.1 kg 0
49566125-c437-4cd4-812c-5c817a106105 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
068cff0b-a2a6-4d93-af8f-24509d5e83ed Environmental → Air → Unknown EF 3.1 kg 4
c795003c-1a5a-4b97-a7a1-aee53f148a0f Environmental → Ground → Agricultural EF 3.1 kg 4
85d8a689-a50d-407b-9548-f7ed4184aab2 Environmental → Ground → Non-agricultural EF 3.1 kg 4
6a545b4e-2468-4122-97b1-2f161cf2118b Environmental → Ground → Unknown EF 3.1 kg 4
31e61f5a-7165-4244-b7b2-b2838c24fd7f Environmental → Water → Long-term EF 3.1 kg 0
c6240a0f-7c5f-4016-bd7d-39775dd97d58 Environmental → Water → Ocean EF 3.1 kg 4
eb17420b-f0ae-4886-8543-fdfbc5cdacbf Environmental → Water → Surface water EF 3.1 kg 4
2eb81958-d722-470a-8c64-ee2550c95521 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-e070d5efb5b34fca",
  "prefLabel": [
    {
      "@value": "2-amino-1,3-propanediol",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,3-Dihydroxy-2-propylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Dihydroxyisopropylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
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          "https://commonchemistry.cas.org/detail?cas_rn=534-03-2"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Dihydroxypropan-2-amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Propanediol, 2-amino-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Amino-1,3-dihydroxypropane",
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        ],
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      }
    },
    {
      "@value": "2-Aminoglycerol",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Aminopropane-1,3-diol",
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      }
    },
    {
      "@value": "2-Hydroxy-1-(hydroxymethyl)ethylamine",
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        ],
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    },
    {
      "@value": "Serinol",
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}

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