Consensus flow list

Identity

Type
Neutral molecule
CAS
105-83-9
EC
203-336-8
Origin
EF 3.1 hybrid_name_cas_v1
Changes
55 across every transformer

Structure

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

Alternative labels

32

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string KMBPCQSCMCEPMU-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C7H19N3/c1-10(6-2-4-8)7-3-5-9/h2-9H2,1H3
IUPAC name chemrof:IUPAC_name N-(3-aminopropyl)-n-methylpropane-1,3-diamine
Molecular formula chemrof:molecular_formula C7H19N3
Molecular mass chemrof:molecular_mass 145.25
Monoisotopic mass chemrof:monoisotopic_mass 145.157898
SMILES string chemrof:smiles_string CN(CCCN)CCCN

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=105-83-9 enrich_references.consensus_cas_link
CAS Common Chemistry https://commonchemistry.cas.org/detail?cas_rn=11071-12-8 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.003.034 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.031.163 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID1044510 enrich_references.pubchem_identifier_url
dtp.cancer.gov https://dtp.cancer.gov/dtpstandard/servlet/dwindex?searchtype=NSC&outputformat=html&searchlist=8173 enrich_references.pubchem_identifier_url
ebi.ac.uk https://www.ebi.ac.uk/chembl/explore/compound/CHEMBL283720 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/62ZM34D74O enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.184C enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/7777 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27263529 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
d4b06c05-aeba-4253-bd69-8b69c99391fd Environmental → Air → Aircraft cruise height EF 3.1 kg 4
91774c8e-c9e6-408c-9a51-700ecc03c767 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 4
8e677df9-5f3a-4fe9-9852-2a7d930c90c9 Environmental → Air → Indoor EF 3.1 kg 4
3530b3c1-6204-4a25-b391-d3624a1d6b96 Environmental → Air → Long-term EF 3.1 kg 0
c24f652f-1b6c-490b-ba44-2e522f2bfcae Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 4
5d9a3e5e-314c-4716-8532-893905daf24a Environmental → Air → Unknown EF 3.1 kg 4
7f508116-2cd2-485b-acea-d6419f5de7d3 Environmental → Ground → Agricultural EF 3.1 kg 4
adbad7e0-6dd4-4489-8c40-c8a6e1fbbfd3 Environmental → Ground → Non-agricultural EF 3.1 kg 4
2d9384d9-d2aa-4890-8dfa-cf051285670d Environmental → Ground → Unknown EF 3.1 kg 4
9c505ed2-6425-4165-a01e-b250c79afd1e Environmental → Water → Long-term EF 3.1 kg 0
71b495f3-6026-49b4-9d44-ee20a8475cd1 Environmental → Water → Ocean EF 3.1 kg 4
dd0b9bef-621b-4748-a4fd-a126f3e52853 Environmental → Water → Surface water EF 3.1 kg 4
6a0f9eaf-2ab1-4fe4-87ad-40c7763fe6a1 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-b41da8160fd0e65b",
  "prefLabel": [
    {
      "@value": "N-(3-aminopropyl)-n-methylpropane-1,3-diamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
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        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(7-Amino-4-methyl-4-azaheptyl)amine",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Propanediamine, N-(3-aminopropyl)-N-methyl-",
      "@language": "en",
      "@lang": "en",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,3-Propanediamine, N1-(3-aminopropyl)-N1-methyl-",
      "@language": "en",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,7-Diamino-4-aza(methyl)heptane",
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      }
    },
    {
      "@value": "1,7-Diamino-4-methyl-4-azaheptane",
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    },
    {
      "@value": "3,3′-Diamino-N-methyldipropylamine",
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    },
    {
      "@value": "3,3′-Diamino-N-methyldipropylmine",
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    },
    {
      "@value": "3,3′-Methyliminobispropylamine",
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    },
    {
      "@value": "4-Aza-4-methylheptane-1,7-diamine",
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    },
    {
      "@value": "5-Methyl-1,5,9-triazanonane",
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    },
    {
      "@value": "5-Methyldipropylenetriamine",
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      }
    },
    {
      "@value": "Bis(3-aminopropyl)methylamine",
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        ],
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      }
    },
    {
      "@value": "Bis(γ-aminopropyl)methylamine",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Bis(ω-aminopropyl)methylamine",
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        ],
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      }
    },
    {
      "@value": "Di(γ-aminopropyl)methylamine",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dicamba N,N-[aminopropyl]methylamine",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Dipropylamine, 3,3′-diamino-N-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "Methylbis(3-aminopropyl)amine",
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        ],
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      }
    },
    {
      "@value": "Methyliminobispropylamine",
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      }
    },
    {
      "@value": "N,N-Bis(3-aminopropyl)methylamine",
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        ],
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    },
    {
      "@value": "N,N-Bis(aminopropyl)methylamine",
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        ],
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    },
    {
      "@value": "N,N-Bis(γ-aminopropyl)methylamine",
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N,N′-Bis(3-aminopropyl)methylamine",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-(3-Aminopropyl)-N-methyl-1,3-propanediamine",
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      "@lang": "en",
      "provenance": {
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    },
    {
      "@value": "N-Methyl-bis(3-aminopropyl)amine",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Methyl-N,N-bis(3-aminopropyl)amine",
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      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Methyliminobis[1-propanamine]",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "N-Methyliminobis[propylamine]",
      "@language": "en",
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      "provenance": {
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        ],
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      }
    },
    {
      "@value": "N1-(3-Aminopropyl)-N1-methyl-1,3-propanediamine",
      "@language": "en",
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    },
    {
      "@value": "N1-(3-Aminopropyl)-N1-methylpropane-1,3-diamine",
      "@language": "en",
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    },
    {
      "@value": "N′-Methyl-3,3′-diaminodipropylamine",
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    },
    {
      "@value": "N′-Methyldipropylenetriamine",
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  ],
  "properties": {
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      "@value": [
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