Consensus flow list

Identity

Type
NeutralMolecule
CAS
10563-29-8
EC
234-148-4
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

Structure diagram for N'-(3-aminopropyl)-n,n-dimethylpropane-1,3-diamine

Alternative labels

13

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string OMKZWUPRGQMQJC-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C8H21N3/c1-11(2)8-4-7-10-6-3-5-9/h10H,3-9H2,1-2H3
IUPAC name chemrof:IUPAC_name (3-Aminopropyl)[3-(dimethylamino)propyl]amine
Molecular formula chemrof:molecular_formula C8H21N3
Molecular mass chemrof:molecular_mass 159.277
Monoisotopic mass chemrof:monoisotopic_mass 159.173548
SMILES string chemrof:smiles_string CN(C)CCCNCCCN

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=10563-29-8 enrich_references.consensus_cas_link
chem.echa.europa.eu https://chem.echa.europa.eu/100.031.032 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID2033445 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL1462995 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/B15K0N6194 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J226.992I enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/82728 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27274243 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
009124be-90db-4d6f-a742-fadb9542e7dd Environmental → Air → Aircraft cruise height EF 3.1 kg 4
da4c60e5-4c9f-4860-8b37-e8620e1bb02b Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
cee5ee65-afa7-4505-8781-31f5fa97bbe7 Environmental → Air → Indoor EF 3.1 kg 4
89317f63-b03a-4cd2-99ec-25a5282795f5 Environmental → Air → Long-term EF 3.1 kg 0
9b19067f-2c12-4789-b7a0-86f734576722 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
15415a4c-28e3-4e6c-b1f2-cdf063e36096 Environmental → Air → Unknown EF 3.1 kg 4
660341c8-4c7e-4772-abae-ca9aea08e4d9 Environmental → Ground → Agricultural EF 3.1 kg 4
a3b423a6-0ae5-4bf5-9b0c-c621761061a7 Environmental → Ground → Non-agricultural EF 3.1 kg 4
7d93e7fa-770c-497d-b008-20d320ade601 Environmental → Ground → Unknown EF 3.1 kg 4
d19077fa-42a5-4f49-aa1a-a8e7971c75b2 Environmental → Water → Long-term EF 3.1 kg 0
83d576ec-0ff5-4a2f-9d45-1f6e9e2be178 Environmental → Water → Ocean EF 3.1 kg 4
18352c46-a833-4264-85d3-5e83b53b4125 Environmental → Water → Surface water EF 3.1 kg 4
0f081a00-80bf-49dd-b159-ab405b6b7024 Environmental → Water → Unknown EF 3.1 kg 4

History

Everything that changed this substance (55 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-7eda15f2b51b1b2d",
  "prefLabel": [
    {
      "@value": "N'-(3-aminopropyl)-n,n-dimethylpropane-1,3-diamine",
      "@language": "en",
      "@lang": "en",
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        "prov:hadPrimarySource": [
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        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(3-Aminopropyl)[3-(dimethylamino)propyl]amine",
      "@language": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Propanediamine, N3-(3-aminopropyl)-N1,N1-dimethyl-",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
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    },
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      "@value": "1-Amino-7-(dimethylamino)-4-azaheptane",
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    },
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      "@value": "3-[[3-(Dimethylamino)propyl]amino]propylamine",
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    {
      "@value": "[3-[(3-Aminopropyl)amino]propyl]dimethylamine",
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    {
      "@value": "Dimethyldipropylenetriamine",
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      "@value": "Dipropylamine, 3-amino-3′-(dimethylamino)-",
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    {
      "@value": "DMAPAPA",
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    },
    {
      "@value": "N,N-Dimethyl-N′-(γ-aminopropyl)trimethylenediamine",
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}

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