Consensus flow list

Identity

Type
NeutralMolecule
CAS
598-74-3
EC
209-949-7
Origin
EF 3.1 hybrid_name_cas_v1
Changes
54 across every transformer

Structure

Structure diagram for 1,2-dimethylpropylamine

Alternative labels

10

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string JOZZAIIGWFLONA-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3
IUPAC name chemrof:IUPAC_name 1,2-dimethylpropylamine
Molecular formula chemrof:molecular_formula C5H13N
Molecular mass chemrof:molecular_mass 87.166
Monoisotopic mass chemrof:monoisotopic_mass 87.104799
SMILES string chemrof:smiles_string CC(C)C(C)N

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=598-74-3 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.009.046 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID4022074 enrich_references.pubchem_identifier_url
gsrs.ncats.nih.gov https://gsrs.ncats.nih.gov/ginas/app/beta/substances/1P7J19TM9E enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J71.080F enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/11731 enrich_references.pubchem_compound
wikidata.org https://www.wikidata.org/wiki/Q27252708 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
b13e90c9-7d8e-4773-95af-dc308616c72a Environmental → Air → Aircraft cruise height EF 3.1 kg 2
3fa8994f-6671-4a3c-b492-74b2e2f1e2f7 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
2700611a-8636-412e-9497-1df770ea5c17 Environmental → Air → Indoor EF 3.1 kg 2
07a531ba-eabf-4e7f-ae05-85488fa1c8f6 Environmental → Air → Long-term EF 3.1 kg 0
51c49c7b-74a8-49e9-8152-c2cd91fc7e23 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
4315f4f7-d529-436c-b695-778a062795a4 Environmental → Air → Unknown EF 3.1 kg 2
9a68909b-9803-4a00-8576-32ced511396a Environmental → Ground → Agricultural EF 3.1 kg 2
a9a13896-d562-4115-913a-83431c733495 Environmental → Ground → Non-agricultural EF 3.1 kg 2
68d1c684-a18d-48fe-824a-cd7e8a540cf1 Environmental → Ground → Unknown EF 3.1 kg 2
b110f6c6-c192-4f3a-8644-0b57dfb12585 Environmental → Water → Long-term EF 3.1 kg 0
e28b3f99-0e24-4eea-9f63-41ae2eded752 Environmental → Water → Ocean EF 3.1 kg 2
f5760690-2b99-4bca-a649-52dbd34b4e5b Environmental → Water → Surface water EF 3.1 kg 2
febad436-4936-4d05-a0f4-481f9e9a4adb Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (54 changes)

Open the changes page

Full record

Flow object JSON
{
  "flow_object_id": "fo-def61d8c5496d94a",
  "prefLabel": [
    {
      "@value": "1,2-dimethylpropylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "(3-Methylbutan-2-yl)amine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(±)-3-Methyl-2-butanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "(±)-3-Methyl-2-butylamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "1,2-Dimethylpropanamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Amino-3-methylbutane",
      "@language": "en",
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      }
    },
    {
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      "@language": "en",
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    },
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    {
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        ],
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      }
    },
    {
      "@value": "3-Methyl-2-butylamine",
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    },
    {
      "@value": "Propylamine, 1,2-dimethyl-",
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}

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