Brightway Flows 1.0
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7,7-dimethyl-3-oxa-6-azaoctan-1-ol

fo-9af9bde35235df3c

Identity

Type
Neutral molecule
CAS
87787-67-5
EC
400-390-6
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 7,7-dimethyl-3-oxa-6-azaoctan-1-ol

Alternative labels

4

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string YDEDDFNFQOPRQJ-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H19NO2/c1-8(2,3)9-4-6-11-7-5-10/h9-10H,4-7H2,1-3H3
IUPAC name chemrof:IUPAC_name 7,7-dimethyl-3-oxa-6-azaoctan-1-ol
Molecular formula chemrof:molecular_formula C8H19NO2
Molecular mass chemrof:molecular_mass 161.245
Monoisotopic mass chemrof:monoisotopic_mass 161.141579
SMILES string chemrof:smiles_string CC(C)(C)NCCOCCO

Known URLs

7

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=87787-67-5 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.100.241 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID5074636 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/5F2SNZ2QLD enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J3.781.872K enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/13643664 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q82002895 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
18798df2-0693-496d-870e-37aef0907ef0 Environmental → Air → Aircraft cruise height EF 3.1 kg 4
152b3975-4fec-4fe1-8f3f-f4a2d6d12d52 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
a7ddd5e2-cd73-467f-8df3-b0081a0850a9 Environmental → Air → Indoor EF 3.1 kg 4
d964c425-1b81-424f-b455-094011424903 Environmental → Air → Long-term EF 3.1 kg 0
15080e1f-5700-4118-abdc-b7af0ac35c03 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
103807e2-0b9b-4238-a2f6-bdbdc3e37571 Environmental → Air → Unknown EF 3.1 kg 4
659c25dd-0fba-4d4c-9b83-4fc3f6b9b9b1 Environmental → Ground → Agricultural EF 3.1 kg 4
76f3127a-c68e-4a66-b066-77f8ddecb43d Environmental → Ground → Non-agricultural EF 3.1 kg 4
5b40292c-a30f-4c56-b7a9-0de8f66bdf1d Environmental → Ground → Unknown EF 3.1 kg 4
6339a6b4-29fb-4b92-8095-78cbc18cb634 Environmental → Water → Long-term EF 3.1 kg 0
1e5914cc-cb35-4d42-a229-6c5a10ea55d2 Environmental → Water → Ocean EF 3.1 kg 4
7b29eb2c-a16b-417c-96ee-7673eb86b5c4 Environmental → Water → Surface water EF 3.1 kg 4
f4de04df-885a-43bf-b683-c40a949d86f7 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-9af9bde35235df3c",
  "prefLabel": [
    {
      "@value": "7,7-dimethyl-3-oxa-6-azaoctan-1-ol",
      "@language": "en",
      "@lang": "en",
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      }
    }
  ],
  "altLabel": [
    {
      "@value": "2-(2-tert-Butylaminoethoxy)ethanol",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-[2-(tert-Butylamino)ethoxy]ethan-1-ol",
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    },
    {
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    },
    {
      "@value": "Ethanol, 2-[2-[(1,1-dimethylethyl)amino]ethoxy]-",
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  },
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}

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