Consensus flow list

Identity

Type
NeutralMolecule
CAS
108-16-7
EC
203-556-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1-(dimethylamino)propan-2-ol

Alternative labels

18

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NCXUNZWLEYGQAH-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H13NO/c1-5(7)4-6(2)3/h5,7H,4H2,1-3H3
IUPAC name chemrof:IUPAC_name 1-(dimethylamino)propan-2-ol
Molecular formula chemrof:molecular_formula C5H13NO
Molecular mass chemrof:molecular_mass 103.165
Monoisotopic mass chemrof:monoisotopic_mass 103.099714
SMILES string chemrof:smiles_string CC(O)CN(C)C

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=108-16-7 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.234 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5031210 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=3163 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL3186209 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/OX17195H4T enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J112.300I enrich_references.pubchem_identifier_url
ncithesaurus.nci.nih.gov https://ncithesaurus.nci.nih.gov/ncitbrowser/ConceptReport.jsp?dictionary=NCI_Thesaurus&ns=ncit&code=C174816 enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/37511 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=008383 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q26841310 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
692122f1-5b8d-442c-9730-571d388b01be Environmental → Air → Aircraft cruise height EF 3.1 kg 4
f0763022-18fb-43ef-8bd2-d4fb4d9d9e48 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
164bbac0-9b98-4e50-b762-eae2a2ed6399 Environmental → Air → Indoor EF 3.1 kg 4
811b1aad-45b2-48cb-91e8-bb392c453df9 Environmental → Air → Long-term EF 3.1 kg 0
3efb2048-e845-4830-961f-4c247267cc72 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
b38ffbfd-27f2-4c30-b120-7031867c66d4 Environmental → Air → Unknown EF 3.1 kg 4
7bbb3dc3-630f-4014-8629-d404a96c3437 Environmental → Ground → Agricultural EF 3.1 kg 4
3bbbac93-6db8-4277-bf33-49497e53f741 Environmental → Ground → Non-agricultural EF 3.1 kg 4
19c3e14d-72e7-4b46-943d-14af59d2a97e Environmental → Ground → Unknown EF 3.1 kg 4
bae7ba41-68c3-4ad3-b8b3-fdd11ef00963 Environmental → Water → Long-term EF 3.1 kg 0
887a839b-cb5a-4bcb-9b18-63d9498f9706 Environmental → Water → Ocean EF 3.1 kg 4
d55f32e8-e6f0-456a-8a75-81cb2c67d79a Environmental → Water → Surface water EF 3.1 kg 4
c1f528f9-a89b-49fb-bfe6-6b7e4b2bae6d 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-6b55c395d746c285",
  "prefLabel": [
    {
      "@value": "1-(dimethylamino)propan-2-ol",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(±)-1-(Dimethylamino)-2-propanol",
      "@language": "en",
      "@lang": "en",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
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    },
    {
      "@value": "(±)-1-(N,N-Dimethylamino)-2-propanol",
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    },
    {
      "@value": "1-(Dimethylamino)-2-propanol",
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    },
    {
      "@value": "1-Methyl-2-(dimethylamino)ethanol",
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    {
      "@value": "2-(Dimethylamino)-1-methyl-1-ethanol",
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    {
      "@value": "2-(Dimethylamino)-1-methylethanol",
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    {
      "@value": "2-Propanol, 1-(dimethylamino)-",
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    {
      "@value": "3-(Dimethylamino)-2-propanol",
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    {
      "@value": "Bisomer Amine D 700",
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    },
    {
      "@value": "Dimepranol",
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    {
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    },
    {
      "@value": "Dimethylisopropanolamine",
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    {
      "@value": "DL-1-(Dimethylamino)-2-propanol",
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    {
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