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2-methyloctane-1,8-diamine

fo-a1d37cf215e2e759

Identity

Type
Neutral molecule
CAS
148528-05-6
EC
700-111-0
Origin
EF 3.1 hybrid_name_cas_v1
Changes
53 across every transformer

Structure

Structure diagram for 2-methyloctane-1,8-diamine

Alternative labels

5

Properties

PropertyValue
InChI2D key string chemrof:inchi2d_key_string GAGWMWLBYJPFDD-UHFFFAOYSA-N
InChI2D string chemrof:inchi2d_string InChI=1S/C9H22N2/c1-9(8-11)6-4-2-3-5-7-10/h9H,2-8,10-11H2,1H3
IUPAC name chemrof:IUPAC_name 2-methyloctane-1,8-diamine
Molecular formula chemrof:molecular_formula C9H22N2
Molecular mass chemrof:molecular_mass 158.289
Monoisotopic mass chemrof:monoisotopic_mass 158.178299
SMILES string chemrof:smiles_string CC(CN)CCCCCCN

Known URLs

6

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=148528-05-6 enrich_references.pubchem_identifier_url
chem.echa.europa.eu https://chem.echa.europa.eu/100.124.214 enrich_references.pubchem_identifier_url
comptox.epa.gov https://comptox.epa.gov/dashboard/DTXSID00446722 enrich_references.pubchem_identifier_url
jglobal.jst.go.jp http://jglobal.jst.go.jp/en/redirect?Nikkaji_No=J1.633.250J enrich_references.pubchem_identifier_url
PubChem https://pubchem.ncbi.nlm.nih.gov/compound/10877399 enrich_references.pubchem_compound
Wikidata https://www.wikidata.org/wiki/Q82265437 enrich_references.pubchem_identifier_url

Elementary flows

13
Flow Context Source Unit CFs
05105b59-504f-4b0b-ace4-54a1e83c74b9 Environmental → Air → Aircraft cruise height EF 3.1 kg 2
8172534e-3368-4b62-8eee-812702767452 Environmental → Air → Ground level → Urban (>1000 people/square mile) EF 3.1 kg 2
f891d2d5-2360-4395-9111-09306a221a9c Environmental → Air → Indoor EF 3.1 kg 2
b285c227-ec95-45d2-a4ff-4874b43bcbf2 Environmental → Air → Long-term EF 3.1 kg 0
cfe0e4ef-2c3c-495b-9f93-af2698406824 Environmental → Air → Medium stack, <150 meters → Rural (<1000 people/square mile) EF 3.1 kg 2
6657837f-f105-45f7-898d-4463e5861087 Environmental → Air → Unknown EF 3.1 kg 2
9fd13160-d94e-4251-a95f-e6bd6380cb85 Environmental → Ground → Agricultural EF 3.1 kg 2
21bcd13b-2be1-4369-ac2e-b73d4f219bde Environmental → Ground → Non-agricultural EF 3.1 kg 2
2c3faf19-ff4a-4899-8d27-6a90d918279b Environmental → Ground → Unknown EF 3.1 kg 2
fac912a3-ad9f-476e-b204-196d05423e09 Environmental → Water → Long-term EF 3.1 kg 0
87d23f05-443a-46a0-ba4b-eaf23e2672eb Environmental → Water → Ocean EF 3.1 kg 2
87bef649-da37-4c24-b1f6-0faa28ccf5d6 Environmental → Water → Surface water EF 3.1 kg 2
77fd528c-7bfc-4b49-bc15-ec7bf1c134f2 Environmental → Water → Unknown EF 3.1 kg 2

History

Everything that changed this substance (53 changes)

Open the changes page

Full record

Flow object JSON 
{
  "flow_object_id": "fo-a1d37cf215e2e759",
  "prefLabel": [
    {
      "@value": "2-methyloctane-1,8-diamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
          "EF 3.1"
        ],
        "prov:wasDerivedFrom": "legacy name field"
      }
    }
  ],
  "altLabel": [
    {
      "@value": "1,8-Octanediamine, 2-methyl-",
      "@language": "en",
      "@lang": "en",
      "provenance": {
        "prov:wasGeneratedBy": "consensus_match",
        "prov:wasAttributedTo": "consensus-flow-list",
        "prov:hadPrimarySource": [
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          "EF 3.1",
          "https://commonchemistry.cas.org/detail?cas_rn=148528-05-6"
        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methyl-1,8-diaminooctane",
      "@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": "2-Methyl-1,8-octamethylenediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        ],
        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methyl-1,8-octanediamine",
      "@language": "en",
      "@lang": "en",
      "provenance": {
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        "prov:wasDerivedFrom": "common chemistry CAS lookup"
      }
    },
    {
      "@value": "2-Methyloctamethylenediamine",
      "@language": "en",
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    },
    "https://w3id.org/chemrof/molecular_mass": {
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    },
    "https://w3id.org/chemrof/monoisotopic_mass": {
      "@id": "https://w3id.org/chemrof/monoisotopic_mass",
      "rdfs:label": "Monoisotopic mass",
      "@value": [
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      "provenance": [
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        ]
      },
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  },
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    },
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  ],
  "created_from": {
    "resolver": "hybrid_name_cas_v1",
    "seed_uuid": "05105b59-504f-4b0b-ace4-54a1e83c74b9",
    "seed_source": "EF 3.1",
    "semantic_typing": {
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      "reason": "",
      "types": [
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      "provenance": {
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  },
  "classifications": {
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      "rdfs:seeAlso": [
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  "origin_qualifier": null,
  "parent_flow_object_id": null,
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  "@type": [
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  ]
}

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