Consensus flow list

Identity

Type
Neutral molecule
CAS
388606-32-4
EC
470-090-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 3-[(2,2-dimethyl-1,2-azasilolidin-1-yl)(dimethyl)silyl]-1-propanamine

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string IELVEAVYQVBGNX-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C10H26N2Si2/c1-13(2,9-5-7-11)12-8-6-10-14(12,3)4/h5-11H2,1-4H3
IUPAC name chemrof:IUPAC_name 3-[(2,2-dimethyl-1,2-azasilolidin-1-yl)(dimethyl)silyl]-1-propanamine
Molecular formula chemrof:molecular_formula C10H26N2Si2
Molecular mass chemrof:molecular_mass 230.504
Monoisotopic mass chemrof:monoisotopic_mass 230.163452
SMILES string chemrof:smiles_string C[Si](C)(CCCN)N1CCC[Si]1(C)C

Known URLs

5

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=388606-32-4 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID40473572 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J2.169.342A enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11817097 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q82303062 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
8678866f-0ea8-4ed9-9dc8-795e8028f391 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
9d4c33b5-da0f-47e1-9203-0b1a0ae64f4b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
6b46e51e-686c-43dc-a686-f758c1a9090f Environmental → Air → Indoor EF 3.1 kg 4
7d72b9c3-215d-4dd1-bfb4-935adc55358d Environmental → Air → Long-term EF 3.1 kg 0
60f431b5-cf14-4fa6-a0b0-0c08dc50fbe3 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
f46785d9-2c3a-413b-96c0-78f9ca3acc84 Environmental → Air → Unknown EF 3.1 kg 4
43551f25-a8ea-4c33-bf9e-cdbc70e99c16 Environmental → Ground → Agricultural EF 3.1 kg 4
d6c1c574-8e9a-4f9e-b21c-0cbee72add25 Environmental → Ground → Non-agricultural EF 3.1 kg 4
fdeac776-78ad-4580-b3cb-a0c4e51af07c Environmental → Ground → Unknown EF 3.1 kg 4
33a73eee-b5ce-42bc-8533-7e2d6d9391f5 Environmental → Water → Long-term EF 3.1 kg 0
61e039e6-38f6-46d9-b50d-c4ed2667a976 Environmental → Water → Ocean EF 3.1 kg 4
e1c40cec-4c97-463e-8211-9346ad2cbe34 Environmental → Water → Surface water EF 3.1 kg 4
b853865c-58cf-4114-882e-874a288d8556 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-2ef7f2a8ef5e9364",
  "prefLabel": [
    {
      "@value": "3-[(2,2-dimethyl-1,2-azasilolidin-1-yl)(dimethyl)silyl]-1-propanamine",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1-[(3-Aminopropyl)dimethylsilyl]-2,2-dimethyl-1,2-azasilolidine",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1-Propanamine, 3-[(2,2-dimethyl-1-aza-2-silacyclopent-1-yl)dimethylsilyl]-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "3-[(2,2-Dimethyl-1-aza-2-silacyclopent-1-yl)dimethylsilyl]-1-propanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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      }
    },
    {
      "@value": "N-[(3-Aminopropyl)dimethylsilyl]-2,2-dimethyl-1-aza-2-silacyclopentane",
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    "https://w3id.org/chemrof/IUPAC_name": {
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      "provenance": [
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
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}

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