Consensus flow list

Identity

Type
Neutral molecule
CAS
3717-40-6
EC
609-335-2
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N,n-dimethyl-1-adamantanamine

Alternative labels

9

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string NFBYCNFAXLUGBT-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C12H21N/c1-13(2)12-6-9-3-10(7-12)5-11(4-9)8-12/h9-11H,3-8H2,1-2H3
IUPAC name chemrof:IUPAC_name (Dimethylamino)adamantane
Molecular formula chemrof:molecular_formula C12H21N
Molecular mass chemrof:molecular_mass 179.307
Monoisotopic mass chemrof:monoisotopic_mass 179.1674
SMILES string chemrof:smiles_string CN(C)C12CC3CC(CC(C3)C1)C2

Known URLs

8

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=3717-40-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.116.928 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00893535 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL131460 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J73.377F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/19478 enrich_references.pubchem_compound
PubChem https://pubchem.ncbi.nlm.nih.gov/substance/?source=niaid&sourceid=211725 enrich_references.pubchem_identifier_url
wikidata.org https://www.wikidata.org/wiki/Q81982609 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d8467d57-ee03-4e34-8487-d1fccade0995 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
62d3d5e8-2356-47ed-8c3a-037a81bc0419 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
79572b43-622e-4b49-9abe-a9db17347187 Environmental → Air → Indoor EF 3.1 kg 2
48ed8ccb-5944-4261-a60d-397a574ce168 Environmental → Air → Long-term EF 3.1 kg 0
3680d3e1-e82f-47fc-be1b-6f9ebe622852 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
695dbd74-196e-40fe-88d9-04db883f0d1b Environmental → Air → Unknown EF 3.1 kg 2
c7db1972-7a13-4969-8210-1dfbac4d68f5 Environmental → Ground → Agricultural EF 3.1 kg 2
88fe8991-5424-4707-9673-c0de21926f0f Environmental → Ground → Non-agricultural EF 3.1 kg 2
0f1241f5-98c9-4268-9eeb-9c51f47064c8 Environmental → Ground → Unknown EF 3.1 kg 2
3bfebfa9-dfa9-4c63-b12c-644ff9641222 Environmental → Water → Long-term EF 3.1 kg 0
21dee038-f053-4d48-a06b-1d9e28faa6b8 Environmental → Water → Ocean EF 3.1 kg 2
8d96e0c6-dc30-48c7-acf9-9020e8081149 Environmental → Water → Surface water EF 3.1 kg 2
9335a5a5-41ce-4a3c-813d-f69f1c6a7a4b Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-3da7585151a110f3",
  "prefLabel": [
    {
      "@value": "N,n-dimethyl-1-adamantanamine",
      "@language": "en",
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      }
    }
  ],
  "altLabel": [
    {
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      "@language": "en",
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    },
    {
      "@value": "1-(Dimethylamino)adamantane",
      "@language": "en",
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        ],
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      }
    },
    {
      "@value": "1-Adamantanamine, N,N-dimethyl-",
      "@language": "en",
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      }
    },
    {
      "@value": "1-Adamantyldimethylamine",
      "@language": "en",
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    },
    {
      "@value": "N,N-Dimethyl-1-adamantylamine",
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    {
      "@value": "N,N-Dimethyladamantylamine",
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}

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